1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

C15H13ClN2O2 — CID 707140

IUPAC1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-8-4-5-11(7-12(8)16)18-15-14(10(3)17-18)9(2)6-13(19)20-15/h4-7H,1-3H3
InChIKeyOYVIGFHVAVPGGL-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.56
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one

1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (PubChem CID 707140) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
PubChem CID707140
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-8-4-5-11(7-12(8)16)18-15-14(10(3)17-18)9(2)6-13(19)20-15/h4-7H,1-3H3
InChIKeyOYVIGFHVAVPGGL-UHFFFAOYSA-N
XLogP3.56
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one (CID 707140) is 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is Cc1ccc(-n2nc(C)c3c(C)cc(=O)oc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is OYVIGFHVAVPGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-8-4-5-11(7-12(8)16)18-15-14(10(3)17-18)9(2)6-13(19)20-15/h4-7H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one?
1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 288.73 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 707140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).