2,4-dimethylchromeno[4,3-c]pyrazol-3-one

C12H10N2O2 — CID 2732600

IUPAC2,4-dimethylchromeno[4,3-c]pyrazol-3-one
SMILESCc1oc2ccccc2c2nn(C)c(=O)c1-2
InChIInChI=1S/C12H10N2O2/c1-7-10-11(13-14(2)12(10)15)8-5-3-4-6-9(8)16-7/h3-6H,1-2H3
InChIKeySPCQDGMTZYYPBJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.94
Rot. Bonds

About 2,4-dimethylchromeno[4,3-c]pyrazol-3-one

2,4-dimethylchromeno[4,3-c]pyrazol-3-one (PubChem CID 2732600) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2,4-dimethylchromeno[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2,4-dimethylchromeno[4,3-c]pyrazol-3-one
PubChem CID2732600
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2,4-dimethylchromeno[4,3-c]pyrazol-3-one
SMILESCc1oc2ccccc2c2nn(C)c(=O)c1-2
InChIInChI=1S/C12H10N2O2/c1-7-10-11(13-14(2)12(10)15)8-5-3-4-6-9(8)16-7/h3-6H,1-2H3
InChIKeySPCQDGMTZYYPBJ-UHFFFAOYSA-N
XLogP1.94
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethylchromeno[4,3-c]pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylchromeno[4,3-c]pyrazol-3-one?
The IUPAC name of 2,4-dimethylchromeno[4,3-c]pyrazol-3-one (CID 2732600) is 2,4-dimethylchromeno[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2,4-dimethylchromeno[4,3-c]pyrazol-3-one?
The canonical SMILES for 2,4-dimethylchromeno[4,3-c]pyrazol-3-one is Cc1oc2ccccc2c2nn(C)c(=O)c1-2.
What is the InChIKey of 2,4-dimethylchromeno[4,3-c]pyrazol-3-one?
The InChIKey is SPCQDGMTZYYPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-10-11(13-14(2)12(10)15)8-5-3-4-6-9(8)16-7/h3-6H,1-2H3.
What are the key properties of 2,4-dimethylchromeno[4,3-c]pyrazol-3-one?
2,4-dimethylchromeno[4,3-c]pyrazol-3-one has a molecular weight of 214.22 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylchromeno[4,3-c]pyrazol-3-one is sourced from PubChem (CID 2732600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).