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5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid

5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid - CAS 15070-84-5

Catalog:	BB010565
Product Name:	5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid
CAS:	15070-84-5
Synonyms:	5-amino-1-(3-chlorophenyl)-4-pyrazolecarboxylic acid; 5-amino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-amino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
Description:	5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid (CAS# 15070-84-5) is a useful research chemical.
Molecular Weight:	237.64
Molecular Formula:	C10H8ClN3O2
Canonical SMILES:	C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)C(=O)O)N
InChI:	InChI=1S/C10H8ClN3O2/c11-6-2-1-3-7(4-6)14-9(12)8(5-13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChI Key:	LNIMZORHQHNQPJ-UHFFFAOYSA-N
MDL:	MFCD00973941
LogP:	2.38730

Publication Number	Title	Priority Date
DK-2739628-T3	However unknown macrocycles as a factor xia inhibitors	20110805
EA-024791-B1	NEW MACROCYCLIC COMPOUNDS AS INHIBITORS FACTOR XIa	20110805
EP-2739628-A1	Novel macrocycles as factor xia inhibitors	20110805
EP-2739628-B1	Novel macrocycles as factor xia inhibitors	20110805
ES-2635088-T3	novel macrocycles as inhibitors of factor XIa	20110805

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.0305042
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	237.0305042
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2