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

C23H16ClN7 — CID 155516730

IUPAC6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
InChIInChI=1S/C23H16ClN7/c24-19-4-2-1-3-17(19)14-30-22(9-10-26-30)15-6-8-20-23(11-15)31(29-28-20)18-7-5-16-13-25-27-21(16)12-18/h1-13H,14H2,(H,25,27)
InChIKeyFZXLBNXXRQLJSX-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.86
Rot. Bonds4

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

6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155516730) has the molecular formula C23H16ClN7 and a molecular weight of 425.88 g/mol. Its IUPAC name is 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155516730
Molecular FormulaC23H16ClN7
Molecular Weight425.88 g/mol
Exact Mass425.12
IUPAC Name6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1
InChIInChI=1S/C23H16ClN7/c24-19-4-2-1-3-17(19)14-30-22(9-10-26-30)15-6-8-20-23(11-15)31(29-28-20)18-7-5-16-13-25-27-21(16)12-18/h1-13H,14H2,(H,25,27)
InChIKeyFZXLBNXXRQLJSX-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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (CID 155516730) is 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is Clc1ccccc1Cn1nccc1-c1ccc2nnn(-c3ccc4cn[nH]c4c3)c2c1.
What is the InChIKey of 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is FZXLBNXXRQLJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN7/c24-19-4-2-1-3-17(19)14-30-22(9-10-26-30)15-6-8-20-23(11-15)31(29-28-20)18-7-5-16-13-25-27-21(16)12-18/h1-13H,14H2,(H,25,27).
What are the key properties of 6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
6-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-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-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155516730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).