3-(4-fluoro-3-methylphenyl)-1H-indazole

C14H11FN2 — CID 82073034

IUPAC3-(4-fluoro-3-methylphenyl)-1H-indazole
SMILESCc1cc(-c2n[nH]c3ccccc23)ccc1F
InChIInChI=1S/C14H11FN2/c1-9-8-10(6-7-12(9)15)14-11-4-2-3-5-13(11)16-17-14/h2-8H,1H3,(H,16,17)
InChIKeyQIOMVBWFTFXJGZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.68
Rot. Bonds1

About 3-(4-fluoro-3-methylphenyl)-1H-indazole

3-(4-fluoro-3-methylphenyl)-1H-indazole (PubChem CID 82073034) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-1H-indazole
PubChem CID82073034
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name3-(4-fluoro-3-methylphenyl)-1H-indazole
SMILESCc1cc(-c2n[nH]c3ccccc23)ccc1F
InChIInChI=1S/C14H11FN2/c1-9-8-10(6-7-12(9)15)14-11-4-2-3-5-13(11)16-17-14/h2-8H,1H3,(H,16,17)
InChIKeyQIOMVBWFTFXJGZ-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-fluoro-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-(4-fluoro-3-methylphenyl)-1H-indazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-1H-indazole (CID 82073034) is 3-(4-fluoro-3-methylphenyl)-1H-indazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-1H-indazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-1H-indazole is Cc1cc(-c2n[nH]c3ccccc23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-1H-indazole?
The InChIKey is QIOMVBWFTFXJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-9-8-10(6-7-12(9)15)14-11-4-2-3-5-13(11)16-17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-1H-indazole?
3-(4-fluoro-3-methylphenyl)-1H-indazole has a molecular weight of 226.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-1H-indazole is sourced from PubChem (CID 82073034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).