Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, butyl ester

butyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate

CAS: 62707-51-1

Molecular Formula	`C17H21N3O4`
Molecular Weight	331.4 g/mol
LogP	1.5
Topological Polar Surface Area	79.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	331.1532
Heavy Atoms	24
Complexity	538.0

Chemical Identifiers

CAS Number	62707-51-1
SMILES	`CCCCOC(=O)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C`
InChIKey	`CQSLQMGVFIUXCP-UHFFFAOYSA-N`

📖 Product Overview

Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, butyl ester (CAS: 62707-51-1) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.4 g/mol. Its IUPAC systematic name is butyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate. LogP 1.5 Topological Polar Surface Area 79.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 331.1532 Heavy Atoms 24 Complexity 538.0 InChI Key: CQSLQMGVFIUXCP-UHFFFAOYSA-N. SMILES: CCCCOC(=O)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C.

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