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3-(1H-Pyrazol-3-yl)pyridine - 98%, high purity , CAS No.45887-08-9

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3-(1H-Pyrazol-3-yl)pyridine - 98%, high purity , CAS No.45887-08-9

COA

Grade & Purity:

≥98%

Cas Number: 45887-08-9
Molecular Weight: 145.16
PubChem CID: 7074967
PubChem SID: 488196192

In stock

Item Number

H170452

Grouped product items
SKU	Size	Availability	Price
H170452-250mg	250mg	3	$21.90
H170452-1g	1g	2	$64.90
H170452-5g	5g	2	$291.90

Basic Description

Synonyms	3-(1H-pyrazol-3-yl)pyridine \| 45887-08-9 \| 3-(1H-pyrazol-5-yl)pyridine \| 3-(3-pyridyl)pyrazole \| MFCD03407951 \| 3pypz \| 3-(3-Pyrazolyl)pyridine \| 3-(pyridin-3-yl)pyrazole \| SCHEMBL446537 \| CHEMBL218397 \| YSCH0077 \| SCHEMBL13425468 \| 3-(1h pyrazol-3-yl)-pyridine \| 3-(1H-pyrazol-3-y
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyrazolylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyrazolylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolylpyridines
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyrazolylpyridine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

Discover Target: GAPDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2E1 Tchem Cytochrome P450 2E1 (2174 Activities)

Discover Target: CYP2E1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALPL Tchem Alkaline phosphatase, tissue-nonspecific isozyme (1551 Activities)

Discover Target: ALPL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488196192
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488196192
IUPAC Name	3-(1H-pyrazol-5-yl)pyridine
INCHI	InChI=1S/C8H7N3/c1-2-7(6-9-4-1)8-3-5-10-11-8/h1-6H,(H,10,11)
InChIKey	JJLMOUMOJSUSSX-UHFFFAOYSA-N
Smiles	C1=CC(=CN=C1)C2=CC=NN2
Isomeric SMILES	C1=CC(=CN=C1)C2=CC=NN2
Molecular Weight	145.16
Reaxy-Rn	8677886
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8677886&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B2314464	Certificate of Analysis	Nov 05, 2022	H170452
B2314465	Certificate of Analysis	Nov 05, 2022	H170452
B2314455	Certificate of Analysis	Nov 05, 2022	H170452
B2314460	Certificate of Analysis	Nov 05, 2022	H170452
B2314457	Certificate of Analysis	Nov 05, 2022	H170452

Chemical and Physical Properties

Melt Point(°C)	57-60℃
Molecular Weight	145.160 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	145.064 Da
Monoisotopic Mass	145.064 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	127.000
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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