RefChem:117968

N,N-diethylethanamine;4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid

Also Known As: Benzenesulfonic acid, 4-[4,5-dihydro-3-methyl-5-oxo-4-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1)|Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(3,5,5-trimethyl-2-cyclohexen-1-ylidene)-1H-pyrazol-1-yl)-, compd. with N,N-diethylethanamine (1:1)|N,N-diethylethanamine;4-[3-methyl-5-oxo-4-(3,5,5-trimethylcyclohex-2-en-1-ylidene)pyrazol-1-yl]benzenesulfonic acid

Molecular Formula	C25H37N3O4S
Molecular Weight	475.2505 g/mol
LogP	5.07
Topological Polar Surface Area	90.28 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	475.2505
Heavy Atoms	33
Complexity	1057.9

Chemical Identifiers

CAS Number	62609-93-2
SMILES	CCN(CC)CC.CC1=CC(=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)CC(C1)(C)C