23 Citations
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Basic Description
| Synonyms | pyrazole | 1H-Pyrazole | 288-13-1 | 1,2-diazole | Pyrazol | 1H-pyrazol | UNII-3QD5KJZ7ZJ | 3QD5KJZ7ZJ | EINECS 206-017-1 | NSC 45410 | CHEBI:17241 | AI3-60151 | NSC45410 | NSC-45410 | DTXSID2059774 | EC 206-017-1 | Hpz | MFCD00005234 | Pyrazole- | 3-pyrazole | Pyrazole, 98% | PYRAZOLE [MI] | WLN: T |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms. |
| External Descriptors | a small molecule |
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Associated Targets(Human)
TBXAS1
Tchem
Thromboxane-A synthase (3355 Activities)
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CYP2A6
Tchem
Cytochrome P450 2A6 (2861 Activities)
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-8 (47708 Activities)
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PC-3 (62116 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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TK-10 (45540 Activities)
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U-251 (51189 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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786-0 (47912 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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T47D (39041 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-92 (41141 Activities)
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Hs-578T (29457 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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MDA-MB-435 (38290 Activities)
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MDA-N (28205 Activities)
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Malme-3M (44254 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 1H-pyrazole |
|---|---|
| INCHI | InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5) |
| InChIKey | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
| Smiles | C1=CNN=C1 |
| Isomeric SMILES | C1=CNN=C1 |
| WGK Germany | 1 |
| RTECS | UQ4900000 |
| Molecular Weight | 68.08 |
| Beilstein | 103775 |
| Reaxy-Rn | 103775 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=103775&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Hygroscopic，air sensitive |
|---|---|
| Boil Point(°C) | 186-188°C |
| Melt Point(°C) | 67-70°C |
| Molecular Weight | 68.080 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 68.0374 Da |
| Monoisotopic Mass | 68.0374 Da |
| Topological Polar Surface Area | 28.700 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 28.100 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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