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(3,5-Dimethyl-1-phenyl-1h-pyrazol-4-yl)acetic acid

(3,5-Dimethyl-1-phenyl-1h-pyrazol-4-yl)acetic acid - CAS 32710-88-6

Catalog:	BB055901
Product Name:	(3,5-Dimethyl-1-phenyl-1h-pyrazol-4-yl)acetic acid
CAS:	32710-88-6
Synonyms:	(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetic acid; 2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetic acid; 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetic acid; 3,5-dimethyl-1-phenylpyrazol-4-ylacetic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetic acid
Description:	(3,5-Dimethyl-1-phenyl-1h-pyrazol-4-yl)acetic acid
Molecular Weight:	230.26
Molecular Formula:	C13H14N2O2
Canonical SMILES:	CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)O
InChI:	InChI=1S/C13H14N2O2/c1-9-12(8-13(16)17)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)
InChI Key:	MPWLWTMWAUYATE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-2155685-A1	Pyrazole derivatives as p2x7 modulators	20070510
EP-2155685-B1	Pyrazole derivatives as p2x7 modulators	20070510
JP-2010526793-A	Pyrazole derivatives as P2X7 modulators	20070510
US-2011046137-A1	Pyrazole Derivatives as P2X7 Modulators	20070510
WO-2008138876-A1	Pyrazole derivatives as p2x7 modulators	20070510
DE-1946370-A1	Pyrazole derivatives and processes for their preparation	19690912
US-4146721-A	Pyrazol-4-acetic acid compounds	19690912
US-4325962-A	Pharmaceutical compositions comprising a pyrazole derivative and method of use	19690912

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	230.105527694
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.105527694
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2