1,5-dimethyl-2-phenylpyrazol-3-one

C11H12N2O — CID 2206

💊View drug profile → phenazone
IUPAC1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyVEQOALNAAJBPNY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.48
Rot. Bonds1

About 1,5-dimethyl-2-phenylpyrazol-3-one

1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 2206) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID2206
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyVEQOALNAAJBPNY-UHFFFAOYSA-N
XLogP1.48
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-dimethyl-2-phenylpyrazol-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

Aminopyrine
CID 6009
Mci-186
CID 4021
Propyphenazone
CID 3778
Methylaminoantipyrine
CID 10618
4-Aminoantipyrine
CID 2151
Ramifenazone
CID 5037
N-Phenylmaleimide
CID 13662
Butylacetanilide
CID 7051
4-Iodoantipyrine
CID 8522
4-Acetylaminoantipyrine
CID 65743
4-(Formylamino)antipyrine
CID 72666
4-Hydroxyantipyrine
CID 98889

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenylpyrazol-3-one (CID 2206) is 1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenylpyrazol-3-one is Cc1cc(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is VEQOALNAAJBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenylpyrazol-3-one?
1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 2206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).