3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one

C14H12N2O3 — CID 645275

IUPAC3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3oc(=O)cc(C)c23)cc1
InChIInChI=1S/C14H12N2O3/c1-8-7-11(17)19-14-12(8)13(15-16-14)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKeyYFPHQSKGSGTAOI-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.50
Rot. Bonds2

About 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one

3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 645275) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID645275
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3oc(=O)cc(C)c23)cc1
InChIInChI=1S/C14H12N2O3/c1-8-7-11(17)19-14-12(8)13(15-16-14)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKeyYFPHQSKGSGTAOI-UHFFFAOYSA-N
XLogP2.50
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]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 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one (CID 645275) is 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one is COc1ccc(-c2[nH]nc3oc(=O)cc(C)c23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is YFPHQSKGSGTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-7-11(17)19-14-12(8)13(15-16-14)9-3-5-10(18-2)6-4-9/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one?
3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 256.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 645275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).