2-benzyl-1,5-dimethylpyrazol-3-one

C12H14N2O — CID 12702480

IUPAC2-benzyl-1,5-dimethylpyrazol-3-one
SMILESCc1cc(=O)n(Cc2ccccc2)n1C
InChIInChI=1S/C12H14N2O/c1-10-8-12(15)14(13(10)2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyPZVABTDZSMWDPM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.54
Rot. Bonds2

About 2-benzyl-1,5-dimethylpyrazol-3-one

2-benzyl-1,5-dimethylpyrazol-3-one (PubChem CID 12702480) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-benzyl-1,5-dimethylpyrazol-3-one.

Molecular Properties

Compound Name2-benzyl-1,5-dimethylpyrazol-3-one
PubChem CID12702480
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-benzyl-1,5-dimethylpyrazol-3-one
SMILESCc1cc(=O)n(Cc2ccccc2)n1C
InChIInChI=1S/C12H14N2O/c1-10-8-12(15)14(13(10)2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyPZVABTDZSMWDPM-UHFFFAOYSA-N
XLogP1.54
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-1,5-dimethylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-2,5-dimethylpyrazol-3-one
CID 68678187
1-benzyl-2-methylpyridin-4-one
CID 154013206
2-benzyl-5-methyl-1H-pyrazol-3-one
CID 2384263
2,5-dimethyl-1-phenylpyrazol-3-one
CID 555724
1,5-dimethyl-2-(4-phenylphenyl)pyrazol-3-one
CID 166783776
2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
CID 143774667
4-amino-2-benzyl-5-tert-butyl-1-methylpyrazol-3-one
CID 43163628
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
1-benzyl-5,6,7-trichloro-4-hydroxypyrrolo[1,2-b]pyridazin-2-one
CID 141267459
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075417
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,5-dimethylpyrazol-3-one?
The IUPAC name of 2-benzyl-1,5-dimethylpyrazol-3-one (CID 12702480) is 2-benzyl-1,5-dimethylpyrazol-3-one.
What is the SMILES notation for 2-benzyl-1,5-dimethylpyrazol-3-one?
The canonical SMILES for 2-benzyl-1,5-dimethylpyrazol-3-one is Cc1cc(=O)n(Cc2ccccc2)n1C.
What is the InChIKey of 2-benzyl-1,5-dimethylpyrazol-3-one?
The InChIKey is PZVABTDZSMWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-8-12(15)14(13(10)2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-benzyl-1,5-dimethylpyrazol-3-one?
2-benzyl-1,5-dimethylpyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,5-dimethylpyrazol-3-one is sourced from PubChem (CID 12702480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).