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

C24H14ClF6N3O2 — CID 59631893

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H14ClF6N3O2/c25-18-3-1-2-4-19(18)34-20(13-21(33-34)23(26,27)28)14-5-7-15(8-6-14)22(35)32-16-9-11-17(12-10-16)36-24(29,30)31/h1-13H,(H,32,35)
InChIKeyNCQVQVSFVZEPBJ-UHFFFAOYSA-N
MW525.84 g/mol
LogP7.36
Rot. Bonds5

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

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 59631893) has the molecular formula C24H14ClF6N3O2 and a molecular weight of 525.84 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID59631893
Molecular FormulaC24H14ClF6N3O2
Molecular Weight525.84 g/mol
Exact Mass525.07
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C24H14ClF6N3O2/c25-18-3-1-2-4-19(18)34-20(13-21(33-34)23(26,27)28)14-5-7-15(8-6-14)22(35)32-16-9-11-17(12-10-16)36-24(29,30)31/h1-13H,(H,32,35)
InChIKeyNCQVQVSFVZEPBJ-UHFFFAOYSA-N
XLogP7.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.84
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1217387
1-benzyl-5-chloro-3-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 2118839
3-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509623
8-[(2-Chlorobenzoyl)amino]-1-[4-(trifluoromethoxy)phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291761
5-chloro-N-(3-(1,1-difluoropropyl)phenyl)-1-(4-methoxyphenyl)-3-methyl-1H-
CID 155311041
N-(2-chlorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
CID 134804048
[4-(2-Chlorophenyl)piperazin-1-yl]-[3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 4567249
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-4-fluorobenzamide
CID 24720476
N-[3-(4-Chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-YL]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088030
N-[1-(2-Chlorophenyl)-3-phenyl-1H-pyrazol-5-YL]-4-(trifluoromethoxy)benzamide
CID 46088091
5-(4-chlorophenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 166610875
3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 1257803

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 59631893) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is NCQVQVSFVZEPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF6N3O2/c25-18-3-1-2-4-19(18)34-20(13-21(33-34)23(26,27)28)14-5-7-15(8-6-14)22(35)32-16-9-11-17(12-10-16)36-24(29,30)31/h1-13H,(H,32,35).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 525.84 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 59631893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).