AC1MJKHV structure

AC1MJKHV

6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

Also Known As: BAS 00641227|J2.127.370H|SR-01000430586-1|6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile|1-Phenyl-3-methyl-4-(1,3-benzodioxole-5-yl)-6-amino-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile|4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-6-amino-3-methyl-1-phenyl-4H-pyrano[3,2-d ]pyrazole-5-carbonitrile|6-Amino-1,4-dihydro-3-methyl-4-[3,4-(methylenedioxy)phenyl]-1-phenylpyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile|6-amino-4-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

CAS: 313702-96-4
Molecular Formula C21H16N4O3
Molecular Weight 372.12225 g/mol
LogP 3.1276
Topological Polar Surface Area 95.32 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 2
Exact Mass 372.12225
Monoisotopic Mass 372.12225
Heavy Atoms 28
Complexity 1158.384

Chemical Identifiers

CAS Number 313702-96-4
SMILES CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Product Overview

AC1MJKHV (CAS 313702-96-4), with molecular formula C21H16N4O3 and molecular weight 372.12225 g/mol. IUPAC: 6-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile.

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