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

C23H15Cl2N7 — CID 155550469

IUPAC6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1
InChIInChI=1S/C23H15Cl2N7/c24-17-4-1-16(19(25)10-17)13-31-22(7-8-27-31)14-3-6-20-23(9-14)32(30-29-20)18-5-2-15-12-26-28-21(15)11-18/h1-12H,13H2,(H,26,28)
InChIKeyWYQPCLQKWKRVAN-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.52
Rot. Bonds4

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

6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (PubChem CID 155550469) has the molecular formula C23H15Cl2N7 and a molecular weight of 460.33 g/mol. Its IUPAC name is 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.

Molecular Properties

Compound Name6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
PubChem CID155550469
Molecular FormulaC23H15Cl2N7
Molecular Weight460.33 g/mol
Exact Mass459.08
IUPAC Name6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
SMILESClc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1
InChIInChI=1S/C23H15Cl2N7/c24-17-4-1-16(19(25)10-17)13-31-22(7-8-27-31)14-3-6-20-23(9-14)32(30-29-20)18-5-2-15-12-26-28-21(15)11-18/h1-12H,13H2,(H,26,28)
InChIKeyWYQPCLQKWKRVAN-UHFFFAOYSA-N
XLogP5.52
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The IUPAC name of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole (CID 155550469) is 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole.
What is the SMILES notation for 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The canonical SMILES for 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is Clc1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1.
What is the InChIKey of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
The InChIKey is WYQPCLQKWKRVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N7/c24-17-4-1-16(19(25)10-17)13-31-22(7-8-27-31)14-3-6-20-23(9-14)32(30-29-20)18-5-2-15-12-26-28-21(15)11-18/h1-12H,13H2,(H,26,28).
What are the key properties of 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole?
6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole has a molecular weight of 460.33 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole is sourced from PubChem (CID 155550469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).