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

C24H15ClF3N7 — CID 162477073

IUPAC4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
SMILESFC(F)(F)c1ccccc1Cn1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1
InChIInChI=1S/C24H15ClF3N7/c25-19-9-16(21-7-8-30-34(21)13-15-3-1-2-4-18(15)24(26,27)28)10-22-23(19)32-33-35(22)17-6-5-14-12-29-31-20(14)11-17/h1-12H,13H2,(H,29,31)
InChIKeyZMXNLAMUQKHIPN-UHFFFAOYSA-N
MW493.88 g/mol
LogP5.88
Rot. Bonds4

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

4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole (PubChem CID 162477073) has the molecular formula C24H15ClF3N7 and a molecular weight of 493.88 g/mol. Its IUPAC name is 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole.

Molecular Properties

Compound Name4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
PubChem CID162477073
Molecular FormulaC24H15ClF3N7
Molecular Weight493.88 g/mol
Exact Mass493.10
IUPAC Name4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole
SMILESFC(F)(F)c1ccccc1Cn1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1
InChIInChI=1S/C24H15ClF3N7/c25-19-9-16(21-7-8-30-34(21)13-15-3-1-2-4-18(15)24(26,27)28)10-22-23(19)32-33-35(22)17-6-5-14-12-29-31-20(14)11-17/h1-12H,13H2,(H,29,31)
InChIKeyZMXNLAMUQKHIPN-UHFFFAOYSA-N
XLogP5.88
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.88
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]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

Related Compounds

4-chloro-6-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 162477067
4-chloro-6-[2-[(5-fluoro-2-pyridinyl)methyl]pyrazol-3-yl]-1-(1H-indazol-6-yl)benzotriazole
CID 146433474
6-[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-4-fluoro-1-(1H-indazol-6-yl)benzotriazole
CID 146433539
2-[5-[7-chloro-3-(1H-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 162476987
4-[[5-[3-ethyl-1-(1H-indazol-6-yl)pyrazolo[4,3-b]pyridin-6-yl]pyrazol-1-yl]methyl]benzonitrile
CID 162477006
5-[4-chloro-6-[2-(2-methyl-4-pyridinyl)pyrazol-3-yl]benzotriazol-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 162477075
5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine
CID 146433323
5-(1H-indazol-6-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 129052048
4-[[5-[7-fluoro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzonitrile
CID 162477000
6-[5-(3-methoxyphenyl)pyrazol-1-yl]-1H-indazole
CID 70981884
4-[[5-[4-amino-3-[amino(1H-indazol-6-yl)amino]-5-chlorophenyl]pyrazol-1-yl]methyl]benzonitrile
CID 146433230
5-[6-[2-[(2-chloro-4-methoxyphenyl)methyl]pyrazol-3-yl]triazolo[4,5-c]pyridin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 162477025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole?
The IUPAC name of 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole (CID 162477073) is 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole.
What is the SMILES notation for 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole?
The canonical SMILES for 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole is FC(F)(F)c1ccccc1Cn1nccc1-c1cc(Cl)c2nnn(-c3ccc4cn[nH]c4c3)c2c1.
What is the InChIKey of 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole?
The InChIKey is ZMXNLAMUQKHIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3N7/c25-19-9-16(21-7-8-30-34(21)13-15-3-1-2-4-18(15)24(26,27)28)10-22-23(19)32-33-35(22)17-6-5-14-12-29-31-20(14)11-17/h1-12H,13H2,(H,29,31).
What are the key properties of 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole?
4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole has a molecular weight of 493.88 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1H-indazol-6-yl)-6-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzotriazole is sourced from PubChem (CID 162477073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).