2-methyl-1H-indazol-3-one

C8H8N2O — CID 590513

IUPAC2-methyl-1H-indazol-3-one
SMILESCn1[nH]c2ccccc2c1=O
InChIInChI=1S/C8H8N2O/c1-10-8(11)6-4-2-3-5-7(6)9-10/h2-5,9H,1H3
InChIKeyFPNXGZRMUROVNY-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.87
Rot. Bonds

About 2-methyl-1H-indazol-3-one

2-methyl-1H-indazol-3-one (PubChem CID 590513) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-methyl-1H-indazol-3-one.

Molecular Properties

Compound Name2-methyl-1H-indazol-3-one
PubChem CID590513
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-methyl-1H-indazol-3-one
SMILESCn1[nH]c2ccccc2c1=O
InChIInChI=1S/C8H8N2O/c1-10-8(11)6-4-2-3-5-7(6)9-10/h2-5,9H,1H3
InChIKeyFPNXGZRMUROVNY-UHFFFAOYSA-N
XLogP0.87
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-indazol-3-one?
The IUPAC name of 2-methyl-1H-indazol-3-one (CID 590513) is 2-methyl-1H-indazol-3-one.
What is the SMILES notation for 2-methyl-1H-indazol-3-one?
The canonical SMILES for 2-methyl-1H-indazol-3-one is Cn1[nH]c2ccccc2c1=O.
What is the InChIKey of 2-methyl-1H-indazol-3-one?
The InChIKey is FPNXGZRMUROVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-10-8(11)6-4-2-3-5-7(6)9-10/h2-5,9H,1H3.
What are the key properties of 2-methyl-1H-indazol-3-one?
2-methyl-1H-indazol-3-one has a molecular weight of 148.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-indazol-3-one is sourced from PubChem (CID 590513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).