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5-(2-Chlorophenyl)-3-pyrazolecarboxylic Acid

5-(2-Chlorophenyl)-3-pyrazolecarboxylic Acid - CAS 1197631-00-7

Catalog:	BB004627
Product Name:	5-(2-Chlorophenyl)-3-pyrazolecarboxylic Acid
CAS:	1197631-00-7
Synonyms:	3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid; 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

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Computed Properties

IUPAC Name:	3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
Description:	5-(2-Chlorophenyl)-3-pyrazolecarboxylic Acid (CAS# 1197631-00-7 ) is a useful research chemical.
Molecular Weight:	222.63
Molecular Formula:	C10H7ClN2O2
Canonical SMILES:	C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)O)Cl
InChI:	InChI=1S/C10H7ClN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChI Key:	YECLPKDINYXXNB-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	2.42830

Publication Number	Title	Priority Date
EP-3380455-A1	Trypanosomes inhibitors	20151126
JP-2019500330-A	Trypanosoma inhibitor	20151126
US-10377719-B2	Trypanosomes inhibitors	20151126
US-2018222866-A1	Trypanosomes inhibitors	20151126
WO-2017089389-A1	Trypanosomes inhibitors	20151126

PMID	Publication Date	Title	Journal
19038545	20090101	Design and synthesis of pyrazole derivatives as potent and selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP)	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.0196052
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	222.0196052
Rotatable Bond Count:	2
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4