3-Nitro-4-(1-pyrazolyl)benzoic Acid - CAS 162848-25-1

Catalog:	BB011914
Product Name:	3-Nitro-4-(1-pyrazolyl)benzoic Acid
CAS:	162848-25-1
Synonyms:	3-nitro-4-(1-pyrazolyl)benzoic acid; 3-nitro-4-pyrazol-1-ylbenzoic acid

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-nitro-4-pyrazol-1-ylbenzoic acid
Description:	3-Nitro-4-(1-pyrazolyl)benzoic Acid (CAS# 162848-25-1) is a useful research chemical.
Molecular Weight:	233.18
Molecular Formula:	C10H7N3O4
Canonical SMILES:	C1=CN(N=C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C10H7N3O4/c14-10(15)7-2-3-8(9(6-7)13(16)17)12-5-1-4-11-12/h1-6H,(H,14,15)
InChI Key:	YPKLOOQBMQJXKS-UHFFFAOYSA-N
LogP:	2.00190

Publication Number	Title	Priority Date
US-2009036420-A1	Benzamide derivatives and their use for treating cns disorders	20070802
AU-7812900-A	Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benozopyrans	19990826
CA-2383257-C	Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benozopyrans	19990826
DE-60024120-T2	SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANE AND BENOZOPYRANE	19990826
EP-1222182-A2	Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benozopyrans	19990826

PMID	Publication Date	Title	Journal
17165815	20061215	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A	Analytical chemistry

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.04365571
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.04365571
Rotatable Bond Count:	2
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2