4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

C23H16ClN7 — CID 146020619

IUPAC4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1cccc(-n2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)
InChIKeyCSVTXOXVXICQEG-UHFFFAOYSA-N
MW425.88 g/mol
LogP5.11
Rot. Bonds3

About 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole

4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole (PubChem CID 146020619) has the molecular formula C23H16ClN7 and a molecular weight of 425.88 g/mol. Its IUPAC name is 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
PubChem CID146020619
Molecular FormulaC23H16ClN7
Molecular Weight425.88 g/mol
Exact Mass425.12
IUPAC Name4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole
SMILESCc1cccc(-n2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1
InChIInChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27)
InChIKeyCSVTXOXVXICQEG-UHFFFAOYSA-N
XLogP5.11
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-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 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The IUPAC name of 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole (CID 146020619) is 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The canonical SMILES for 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole is Cc1cccc(-n2nccc2-c2cc(Cl)c3nnn(-c4ccc5cn[nH]c5c4)c3c2)c1.
What is the InChIKey of 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
The InChIKey is CSVTXOXVXICQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN7/c1-14-3-2-4-17(9-14)30-21(7-8-26-30)16-10-19(24)23-22(11-16)31(29-28-23)18-6-5-15-13-25-27-20(15)12-18/h2-13H,1H3,(H,25,27).
What are the key properties of 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole?
4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole has a molecular weight of 425.88 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1H-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 146020619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).