4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one

C19H14N2O2 — CID 2799655

IUPAC4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C19H14N2O2/c1-13-12-16(22)23-19-17(13)18(14-8-4-2-5-9-14)20-21(19)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyOXEKMPYFRFURMJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.95
Rot. Bonds2

About 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one

4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one (PubChem CID 2799655) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one
PubChem CID2799655
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C19H14N2O2/c1-13-12-16(22)23-19-17(13)18(14-8-4-2-5-9-14)20-21(19)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyOXEKMPYFRFURMJ-UHFFFAOYSA-N
XLogP3.95
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1,3-diphenylpyrano[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 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one (CID 2799655) is 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one is Cc1cc(=O)oc2c1c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is OXEKMPYFRFURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-13-12-16(22)23-19-17(13)18(14-8-4-2-5-9-14)20-21(19)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one?
4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 302.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-diphenylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 2799655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).