(4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone

C19H20N2O — CID 67408932

IUPAC(4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2ccc3c(cnn3CC(C)C)c2)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)12-21-18-9-8-16(10-17(18)11-20-21)19(22)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3
InChIKeyAHQHHJGKHZBCCN-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.23
Rot. Bonds4

About (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone

(4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone (PubChem CID 67408932) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
PubChem CID67408932
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2ccc3c(cnn3CC(C)C)c2)cc1
InChIInChI=1S/C19H20N2O/c1-13(2)12-21-18-9-8-16(10-17(18)11-20-21)19(22)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3
InChIKeyAHQHHJGKHZBCCN-UHFFFAOYSA-N
XLogP4.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone 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 (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone (CID 67408932) is (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone is Cc1ccc(C(=O)c2ccc3c(cnn3CC(C)C)c2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone?
The InChIKey is AHQHHJGKHZBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13(2)12-21-18-9-8-16(10-17(18)11-20-21)19(22)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3.
What are the key properties of (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone?
(4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone has a molecular weight of 292.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-(2-methylpropyl)indazol-5-yl]methanone is sourced from PubChem (CID 67408932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).