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

C24H19N7 — CID 155523491

IUPAC1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole
SMILESCc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C24H19N7/c1-16-2-4-17(5-3-16)15-30-23(10-11-26-30)18-7-9-21-24(12-18)31(29-28-21)20-8-6-19-14-25-27-22(19)13-20/h2-14H,15H2,1H3,(H,25,27)
InChIKeyVQSKIWSCQASJNQ-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.52
Rot. Bonds4

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

1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole (PubChem CID 155523491) has the molecular formula C24H19N7 and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole
PubChem CID155523491
Molecular FormulaC24H19N7
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole
SMILESCc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C24H19N7/c1-16-2-4-17(5-3-16)15-30-23(10-11-26-30)18-7-9-21-24(12-18)31(29-28-21)20-8-6-19-14-25-27-22(19)13-20/h2-14H,15H2,1H3,(H,25,27)
InChIKeyVQSKIWSCQASJNQ-UHFFFAOYSA-N
XLogP4.52
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]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 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole (CID 155523491) is 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole is Cc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole?
The InChIKey is VQSKIWSCQASJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7/c1-16-2-4-17(5-3-16)15-30-23(10-11-26-30)18-7-9-21-24(12-18)31(29-28-21)20-8-6-19-14-25-27-22(19)13-20/h2-14H,15H2,1H3,(H,25,27).
What are the key properties of 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole?
1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole has a molecular weight of 405.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-6-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 155523491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).