3-(3-methylphenyl)-1H-indazole

C14H12N2 — CID 69424522

IUPAC3-(3-methylphenyl)-1H-indazole
SMILESCc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C14H12N2/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyWZAICQJNZNANIO-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds1

About 3-(3-methylphenyl)-1H-indazole

3-(3-methylphenyl)-1H-indazole (PubChem CID 69424522) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-1H-indazole
PubChem CID69424522
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-(3-methylphenyl)-1H-indazole
SMILESCc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C14H12N2/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyWZAICQJNZNANIO-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-methylphenyl)-1H-indazole 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 3-(3-methylphenyl)-1H-indazole?
The IUPAC name of 3-(3-methylphenyl)-1H-indazole (CID 69424522) is 3-(3-methylphenyl)-1H-indazole.
What is the SMILES notation for 3-(3-methylphenyl)-1H-indazole?
The canonical SMILES for 3-(3-methylphenyl)-1H-indazole is Cc1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of 3-(3-methylphenyl)-1H-indazole?
The InChIKey is WZAICQJNZNANIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)15-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 3-(3-methylphenyl)-1H-indazole?
3-(3-methylphenyl)-1H-indazole has a molecular weight of 208.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1H-indazole is sourced from PubChem (CID 69424522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).