CC1=CC=C(C=C1)CC2=C(NNC2=O)C
Name: 5-methyl-4-[(4-methylphenyl)methyl]-1,2-dihydropyrazol-3-one
SMILES: CC1=CC=C(C=C1)CC2=C(NNC2=O)C

Molecular Processing

Molecular formula
C12H14N2O
Molecular weight
202.26
Exact mass
202.1106
XLogP
1.91
TPSA
48.65
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
60.14

Supplementary Information

InChIKey: GFUIHIXCADRSDM-UHFFFAOYSA-N
Synonyme
SCHEMBL2256630GFUIHIXCADRSDM-UHFFFAOYSA-N1,2-dihydro-5-methyl-4-[(4-methylphenyl)methyl]-3H-pyrazol-3-one
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