5-Ethyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic Acid - CAS 1105191-42-1

Catalog:	BB055983
Product Name:	5-Ethyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic Acid
CAS:	1105191-42-1
Synonyms:	5-ethyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic acid; 5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylic acid

Technical Data

IUPAC Name:	5-ethyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxylic acid
Description:	5-Ethyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic Acid is a derivative of 3,5-Dihydro-3-oxo-2-phenyl-2H-pyrazolo[4,3-c]pyridine-7-carboxylic Acid (CAS# 244638-45-7), which is used to prepare GABAA receptor ligands.
Molecular Weight:	283.28
Molecular Formula:	C15H13N3O3
Canonical SMILES:	CCN1C=C2C(=NN(C2=O)C3=CC=CC=C3)C(=C1)C(=O)O
InChI:	InChI=1S/C15H13N3O3/c1-2-17-8-11-13(12(9-17)15(20)21)16-18(14(11)19)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,20,21)
InChI Key:	UBQDGFQSXWROPO-UHFFFAOYSA-N
References:	Blackaby, W. P., et al. PCT Int. Appl. (1999), WO 9948892 A1.

Complexity:	571
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.09569129
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	283.09569129
Rotatable Bond Count:	3
Topological Polar Surface Area:	73.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7