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Ethyl 1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylate

Ethyl 1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylate - CAS 342023-84-1

Catalog:	BB022003
Product Name:	Ethyl 1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylate
CAS:	342023-84-1
Synonyms:	5-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester; ethyl 1-benzyl-5-phenylpyrazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1-benzyl-5-phenylpyrazole-4-carboxylate
Description:	Ethyl 1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylate (CAS# 342023-84-1 ) is a useful research chemical.
Molecular Weight:	306.36
Molecular Formula:	C19H18N2O2
Canonical SMILES:	CCOC(=O)C1=C(N(N=C1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C19H18N2O2/c1-2-23-19(22)17-13-20-21(14-15-9-5-3-6-10-15)18(17)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3
InChI Key:	MBIOTLZLMKYZPM-UHFFFAOYSA-N
LogP:	3.77510

Publication Number	Title	Priority Date
CA-2638787-A1	Cyclic amine compound and use thereof for the prophylaxis or treatment of hypertension	20060216
EP-1984355-A2	Cyclic amine compound and use thereof for the prophylaxis or treatment of hypertension	20060216
JP-2009526747-A	Cyclic amine compounds and uses for prevention and treatment of hypertension	20060216
US-2010121048-A1	Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension	20060216
WO-2007094513-A2	Cyclic amine compound and use thereof for the prophylaxis or treatment of hypertension	20060216

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Complexity:	376
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.136827821
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	306.136827821
Rotatable Bond Count:	6
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7