The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3-cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylic acid - 97%, high purity , CAS No.1006446-33-8
Basic Description
Synonyms
SY069656 | 3-Cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylicacid | PS-18113 | Z1198165066 | 1006446-33-8 | BBL038062 | EN300-92698 | DTXSID20599128 | MFCD04970942 | STK347019 | F50972 | 3-cyclopropyl-1-ethyl-1H-pyrazole-4-carboxylic acid | 3-Cyclopropyl-1-et
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
3-cyclopropyl-1-ethylpyrazole-4-carboxylic acid
INCHI
InChI=1S/C9H12N2O2/c1-2-11-5-7(9(12)13)8(10-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,12,13)
InChIKey
IKMAFDSYDTXWHQ-UHFFFAOYSA-N
Smiles
CCN1C=C(C(=N1)C2CC2)C(=O)O
Isomeric SMILES
CCN1C=C(C(=N1)C2CC2)C(=O)O
Alternate CAS
1006446-33-8
PubChem CID
19621361
Molecular Weight
180.21
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
180.200 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
180.09 Da
Monoisotopic Mass
180.09 Da
Topological Polar Surface Area
55.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
216.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
