Ethyl 2-(1-Pyrazolyl)benzoate - CAS 146139-53-9

Catalog:	BB010044
Product Name:	Ethyl 2-(1-Pyrazolyl)benzoate
CAS:	146139-53-9
Synonyms:	2-(1-pyrazolyl)benzoic acid ethyl ester; ethyl 2-pyrazol-1-ylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-pyrazol-1-ylbenzoate
Description:	Ethyl 2-(1-Pyrazolyl)benzoate (CAS# 146139-53-9 ) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	CCOC(=O)C1=CC=CC=C1N2C=CC=N2
InChI:	InChI=1S/C12H12N2O2/c1-2-16-12(15)10-6-3-4-7-11(10)14-9-5-8-13-14/h3-9H,2H2,1H3
InChI Key:	YVKARBPILHRMPP-UHFFFAOYSA-N
Boiling Point:	343.3 °C at 760 mmHg
LogP:	2.04900

Publication Number	Title	Priority Date
AU-767039-B2	2,3,4,5-tetrahydro-1H-(1,4)benzodiazepine-3-hydroxamic acid as matrix metalloproteinase inhibitors	19990127
CA-2356267-A1	2,3,4,5-tetrahydro-1h-Â¬1,4\|benzodiazepine-3-hydroxamic acid as matrix metalloproteinase inhibitors	19990127
CZ-20012637-A3	2,3,4,5-tetrahydro-1H [1,4] benzodiazepine-3-hydroxamic acid as metalloprotease metalloproteinase inhibitors	19990127
EP-1147095-A1	2, 3, 4, 5-tetrahydro-1h-[1, 4] benzodiazepine-3-hydroxamic acids as matrix metalloproteinase inhibitors	19990127
EP-1147095-B1	2, 3, 4, 5-tetrahydro-1h-[1, 4] benzodiazepine-3-hydroxamic acids as matrix metalloproteinase inhibitors	19990127

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Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.08987763
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.08987763
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1