1,2-dimethylindazol-3-one

C9H10N2O — CID 14956459

IUPAC1,2-dimethylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1C
InChIInChI=1S/C9H10N2O/c1-10-8-6-4-3-5-7(8)9(12)11(10)2/h3-6H,1-2H3
InChIKeyCMCPWAJEELCWGZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.88
Rot. Bonds

About 1,2-dimethylindazol-3-one

1,2-dimethylindazol-3-one (PubChem CID 14956459) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,2-dimethylindazol-3-one.

Molecular Properties

Compound Name1,2-dimethylindazol-3-one
PubChem CID14956459
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,2-dimethylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1C
InChIInChI=1S/C9H10N2O/c1-10-8-6-4-3-5-7(8)9(12)11(10)2/h3-6H,1-2H3
InChIKeyCMCPWAJEELCWGZ-UHFFFAOYSA-N
XLogP0.88
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindazol-3-one?
The IUPAC name of 1,2-dimethylindazol-3-one (CID 14956459) is 1,2-dimethylindazol-3-one.
What is the SMILES notation for 1,2-dimethylindazol-3-one?
The canonical SMILES for 1,2-dimethylindazol-3-one is Cn1c(=O)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethylindazol-3-one?
The InChIKey is CMCPWAJEELCWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-10-8-6-4-3-5-7(8)9(12)11(10)2/h3-6H,1-2H3.
What are the key properties of 1,2-dimethylindazol-3-one?
1,2-dimethylindazol-3-one has a molecular weight of 162.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindazol-3-one is sourced from PubChem (CID 14956459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).