7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one

C12H10N2O3 — CID 178188990

IUPAC7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one
SMILESCOC1C=Cc2c3c(c(=O)oc2=C1)=C(C)N=N3
InChIInChI=1S/C12H10N2O3/c1-6-10-11(14-13-6)8-4-3-7(16-2)5-9(8)17-12(10)15/h3-5,7H,1-2H3
InChIKeyJGBQZOFOORQEDH-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.69
Rot. Bonds1

About 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one

7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one (PubChem CID 178188990) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one
PubChem CID178188990
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one
SMILESCOC1C=Cc2c3c(c(=O)oc2=C1)=C(C)N=N3
InChIInChI=1S/C12H10N2O3/c1-6-10-11(14-13-6)8-4-3-7(16-2)5-9(8)17-12(10)15/h3-5,7H,1-2H3
InChIKeyJGBQZOFOORQEDH-UHFFFAOYSA-N
XLogP0.69
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-3-methyl-7H-chromeno[4,3-c]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 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one?
The IUPAC name of 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one (CID 178188990) is 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one.
What is the SMILES notation for 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one?
The canonical SMILES for 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one is COC1C=Cc2c3c(c(=O)oc2=C1)=C(C)N=N3.
What is the InChIKey of 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one?
The InChIKey is JGBQZOFOORQEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-6-10-11(14-13-6)8-4-3-7(16-2)5-9(8)17-12(10)15/h3-5,7H,1-2H3.
What are the key properties of 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one?
7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one has a molecular weight of 230.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-7H-chromeno[4,3-c]pyrazol-4-one is sourced from PubChem (CID 178188990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).