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

C26H23N7 — CID 155535046

IUPAC1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole
SMILESCC(C)c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C26H23N7/c1-17(2)19-5-3-18(4-6-19)16-32-25(11-12-28-32)20-8-10-23-26(13-20)33(31-30-23)22-9-7-21-15-27-29-24(21)14-22/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyQZIMBHBKXOAONQ-UHFFFAOYSA-N
MW433.52 g/mol
LogP5.33
Rot. Bonds5

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

1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole (PubChem CID 155535046) has the molecular formula C26H23N7 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole
PubChem CID155535046
Molecular FormulaC26H23N7
Molecular Weight433.52 g/mol
Exact Mass433.20
IUPAC Name1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole
SMILESCC(C)c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C26H23N7/c1-17(2)19-5-3-18(4-6-19)16-32-25(11-12-28-32)20-8-10-23-26(13-20)33(31-30-23)22-9-7-21-15-27-29-24(21)14-22/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyQZIMBHBKXOAONQ-UHFFFAOYSA-N
XLogP5.33
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.52
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)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-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole?
The IUPAC name of 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole (CID 155535046) is 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole?
The canonical SMILES for 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole is CC(C)c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1.
What is the InChIKey of 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole?
The InChIKey is QZIMBHBKXOAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7/c1-17(2)19-5-3-18(4-6-19)16-32-25(11-12-28-32)20-8-10-23-26(13-20)33(31-30-23)22-9-7-21-15-27-29-24(21)14-22/h3-15,17H,16H2,1-2H3,(H,27,29).
What are the key properties of 1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole?
1-(1H-indazol-6-yl)-6-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole has a molecular weight of 433.52 g/mol, XLogP of 5.33, 5 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-propan-2-ylphenyl)methyl]pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 155535046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).