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

C23H17N7 — CID 155534704

IUPAC6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole
SMILESc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C23H17N7/c1-2-4-16(5-3-1)15-29-22(10-11-25-29)17-7-9-20-23(12-17)30(28-27-20)19-8-6-18-14-24-26-21(18)13-19/h1-14H,15H2,(H,24,26)
InChIKeyLWORIJIUJKUVBM-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.21
Rot. Bonds4

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

6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155534704) has the molecular formula C23H17N7 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155534704
Molecular FormulaC23H17N7
Molecular Weight391.44 g/mol
Exact Mass391.15
IUPAC Name6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole
SMILESc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1
InChIInChI=1S/C23H17N7/c1-2-4-16(5-3-1)15-29-22(10-11-25-29)17-7-9-20-23(12-17)30(28-27-20)19-8-6-18-14-24-26-21(18)13-19/h1-14H,15H2,(H,24,26)
InChIKeyLWORIJIUJKUVBM-UHFFFAOYSA-N
XLogP4.21
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2-benzylpyrazol-3-yl)-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)-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole (CID 155534704) is 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole is c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)cc1.
What is the InChIKey of 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is LWORIJIUJKUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7/c1-2-4-16(5-3-1)15-29-22(10-11-25-29)17-7-9-20-23(12-17)30(28-27-20)19-8-6-18-14-24-26-21(18)13-19/h1-14H,15H2,(H,24,26).
What are the key properties of 6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole?
6-(2-benzylpyrazol-3-yl)-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 391.44 g/mol, XLogP of 4.21, 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)-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155534704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).