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5-(4-Chlorophenyl)-1-methylpyrazole-3-carboxylic Acid

5-(4-Chlorophenyl)-1-methylpyrazole-3-carboxylic Acid - CAS 957513-70-1

Catalog:	BB041842
Product Name:	5-(4-Chlorophenyl)-1-methylpyrazole-3-carboxylic Acid
CAS:	957513-70-1
Synonyms:	5-(4-chlorophenyl)-1-methyl-3-pyrazolecarboxylic acid; 5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
Description:	5-(4-Chlorophenyl)-1-methylpyrazole-3-carboxylic Acid (CAS# 957513-70-1) is a useful research chemical.
Molecular Weight:	236.65
Molecular Formula:	C11H9ClN2O2
Canonical SMILES:	CN1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C11H9ClN2O2/c1-14-10(6-9(13-14)11(15)16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChI Key:	GMNCOASQHVLVRX-UHFFFAOYSA-N
MDL:	MFCD08144097
LogP:	2.43870

Publication Number	Title	Priority Date
EP-2627637-B1	N-pyridin-3-yl or n-pyrazin-2-yl carboxamides	20101015
US-2012094993-A1	N-pyridin-3-yl or n-pyrazin-2-yl carboxamides	20101015
US-8410107-B2	N-pyridin-3-yl or N-pyrazin-2-yl carboxamides	20101015
AU-2011234398-A1	Novel NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders	20100402
AU-2011234398-A2	Novel NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders	20100402

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[69616-74-6]
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0352552
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.0352552
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4