6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole

C23H16ClN7 — CID 155521443

IUPAC6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2cn[nH]c2c1
InChIInChI=1S/C23H16ClN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27)
InChIKeyLQHZNGIKJBHUFR-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.86
Rot. Bonds4

About 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole

6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155521443) has the molecular formula C23H16ClN7 and a molecular weight of 425.88 g/mol. Its IUPAC name is 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155521443
Molecular FormulaC23H16ClN7
Molecular Weight425.88 g/mol
Exact Mass425.12
IUPAC Name6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2cn[nH]c2c1
InChIInChI=1S/C23H16ClN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27)
InChIKeyLQHZNGIKJBHUFR-UHFFFAOYSA-N
XLogP4.86
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole 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 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole (CID 155521443) is 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole is Clc1cc(-c2ccnn2Cc2ccccc2)cc2c1nnn2-c1ccc2cn[nH]c2c1.
What is the InChIKey of 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is LQHZNGIKJBHUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN7/c24-19-10-17(21-8-9-26-30(21)14-15-4-2-1-3-5-15)11-22-23(19)28-29-31(22)18-7-6-16-13-25-27-20(16)12-18/h1-13H,14H2,(H,25,27).
What are the key properties of 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole?
6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 425.88 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzylpyrazol-3-yl)-4-chloro-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155521443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).