N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

C23H13Cl3F3N3O2 — CID 46088098

IUPACN-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H13Cl3F3N3O2/c24-15-5-1-13(2-6-15)19-12-21(32(31-19)20-11-16(25)7-10-18(20)26)30-22(33)14-3-8-17(9-4-14)34-23(27,28)29/h1-12H,(H,30,33)
InChIKeyVCGWBYNPOLWAQL-UHFFFAOYSA-N
MW526.73 g/mol
LogP7.65
Rot. Bonds5

About N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide

N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 46088098) has the molecular formula C23H13Cl3F3N3O2 and a molecular weight of 526.73 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
PubChem CID46088098
Molecular FormulaC23H13Cl3F3N3O2
Molecular Weight526.73 g/mol
Exact Mass525.00
IUPAC NameN-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H13Cl3F3N3O2/c24-15-5-1-13(2-6-15)19-12-21(32(31-19)20-11-16(25)7-10-18(20)26)30-22(33)14-3-8-17(9-4-14)34-23(27,28)29/h1-12H,(H,30,33)
InChIKeyVCGWBYNPOLWAQL-UHFFFAOYSA-N
XLogP7.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-4-methoxybenzamide
CID 1507263
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 11647509
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 11667813
N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-methoxybenzamide
CID 24981327
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 2352192
4-methoxy-N-[3-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]benzamide
CID 16030763
N~1~-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 46107112
N-[1-(2,6-dichloro-4-trifluoromethyl) phenyl-3-cyano-1H-pyrazol-5-yl]-N'-4-methoxybenzoyl Thioureas
CID 139207138
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4422421
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-4-fluorobenzamide
CID 24720476
N-[3-Tert-butyl-1-(3-fluorophenyl)-1H-pyrazol-5-YL]-4-(trifluoromethoxy)benzamide
CID 24720494
N-[1-(2,5-Dichlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-5-YL]-3-(trifluoromethyl)benzamide
CID 46087781

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide (CID 46088098) is N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide is O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1cc(Cl)ccc1Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is VCGWBYNPOLWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3F3N3O2/c24-15-5-1-13(2-6-15)19-12-21(32(31-19)20-11-16(25)7-10-18(20)26)30-22(33)14-3-8-17(9-4-14)34-23(27,28)29/h1-12H,(H,30,33).
What are the key properties of N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide?
N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 526.73 g/mol, XLogP of 7.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(2,5-dichlorophenyl)pyrazol-5-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 46088098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).