1-methylchromeno[3,4-d]pyrazol-4-one

C11H8N2O2 — CID 14597857

IUPAC1-methylchromeno[3,4-d]pyrazol-4-one
SMILESCn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C11H8N2O2/c1-13-10-7-4-2-3-5-9(7)15-11(14)8(10)6-12-13/h2-6H,1H3
InChIKeyHMTUIVRIBXTUPG-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.68
Rot. Bonds

About 1-methylchromeno[3,4-d]pyrazol-4-one

1-methylchromeno[3,4-d]pyrazol-4-one (PubChem CID 14597857) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-methylchromeno[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name1-methylchromeno[3,4-d]pyrazol-4-one
PubChem CID14597857
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name1-methylchromeno[3,4-d]pyrazol-4-one
SMILESCn1ncc2c(=O)oc3ccccc3c21
InChIInChI=1S/C11H8N2O2/c1-13-10-7-4-2-3-5-9(7)15-11(14)8(10)6-12-13/h2-6H,1H3
InChIKeyHMTUIVRIBXTUPG-UHFFFAOYSA-N
XLogP1.68
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 1-methylchromeno[3,4-d]pyrazol-4-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-methylchromeno[3,4-d]pyrazol-4-one?
The IUPAC name of 1-methylchromeno[3,4-d]pyrazol-4-one (CID 14597857) is 1-methylchromeno[3,4-d]pyrazol-4-one.
What is the SMILES notation for 1-methylchromeno[3,4-d]pyrazol-4-one?
The canonical SMILES for 1-methylchromeno[3,4-d]pyrazol-4-one is Cn1ncc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-methylchromeno[3,4-d]pyrazol-4-one?
The InChIKey is HMTUIVRIBXTUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-13-10-7-4-2-3-5-9(7)15-11(14)8(10)6-12-13/h2-6H,1H3.
What are the key properties of 1-methylchromeno[3,4-d]pyrazol-4-one?
1-methylchromeno[3,4-d]pyrazol-4-one has a molecular weight of 200.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylchromeno[3,4-d]pyrazol-4-one is sourced from PubChem (CID 14597857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).