3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole

C13H13ClN2 — CID 2767228

IUPAC3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESClc1ccc(-c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16)
InChIKeyKVEOBXMMMLVLKY-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.61
Rot. Bonds1

About 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 2767228) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID2767228
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESClc1ccc(-c2n[nH]c3c2CCCC3)cc1
InChIInChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16)
InChIKeyKVEOBXMMMLVLKY-UHFFFAOYSA-N
XLogP3.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-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)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole (CID 2767228) is 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole is Clc1ccc(-c2n[nH]c3c2CCCC3)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is KVEOBXMMMLVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)15-16-13/h5-8H,1-4H2,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole?
3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 232.71 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 2767228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).