3-(4-chlorophenyl)-1H-indazole

C13H9ClN2 — CID 21092579

IUPAC3-(4-chlorophenyl)-1H-indazole
SMILESClc1ccc(-c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h1-8H,(H,15,16)
InChIKeySUZNKLGMTWHYPZ-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 3-(4-chlorophenyl)-1H-indazole

3-(4-chlorophenyl)-1H-indazole (PubChem CID 21092579) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1H-indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1H-indazole
PubChem CID21092579
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name3-(4-chlorophenyl)-1H-indazole
SMILESClc1ccc(-c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h1-8H,(H,15,16)
InChIKeySUZNKLGMTWHYPZ-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-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-chlorophenyl)-1H-indazole?
The IUPAC name of 3-(4-chlorophenyl)-1H-indazole (CID 21092579) is 3-(4-chlorophenyl)-1H-indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1H-indazole?
The canonical SMILES for 3-(4-chlorophenyl)-1H-indazole is Clc1ccc(-c2n[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1H-indazole?
The InChIKey is SUZNKLGMTWHYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h1-8H,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-1H-indazole?
3-(4-chlorophenyl)-1H-indazole has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1H-indazole is sourced from PubChem (CID 21092579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).