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

C25H19ClF3N3O2 — CID 59631671

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c(C)c1
InChIInChI=1S/C25H19ClF3N3O2/c1-15-13-18(34-2)11-12-20(15)30-24(33)17-9-7-16(8-10-17)22-14-23(25(27,28)29)31-32(22)21-6-4-3-5-19(21)26/h3-14H,1-2H3,(H,30,33)
InChIKeyVRRNYWKUACMYRS-UHFFFAOYSA-N
MW485.89 g/mol
LogP6.78
Rot. Bonds5

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

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide (PubChem CID 59631671) has the molecular formula C25H19ClF3N3O2 and a molecular weight of 485.89 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide
PubChem CID59631671
Molecular FormulaC25H19ClF3N3O2
Molecular Weight485.89 g/mol
Exact Mass485.11
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c(C)c1
InChIInChI=1S/C25H19ClF3N3O2/c1-15-13-18(34-2)11-12-20(15)30-24(33)17-9-7-16(8-10-17)22-14-23(25(27,28)29)31-32(22)21-6-4-3-5-19(21)26/h3-14H,1-2H3,(H,30,33)
InChIKeyVRRNYWKUACMYRS-UHFFFAOYSA-N
XLogP6.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 56.78
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
3-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509623
3-methoxy-N-({4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}carbamoyl)benzamide
CID 1508106
5-(2-aminophenyl)-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 10046418
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
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4394547
[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-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 46091710
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 46119109

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide (CID 59631671) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c(C)c1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide?
The InChIKey is VRRNYWKUACMYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O2/c1-15-13-18(34-2)11-12-20(15)30-24(33)17-9-7-16(8-10-17)22-14-23(25(27,28)29)31-32(22)21-6-4-3-5-19(21)26/h3-14H,1-2H3,(H,30,33).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxy-2-methylphenyl)benzamide has a molecular weight of 485.89 g/mol, XLogP of 6.78, 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-methoxy-2-methylphenyl)benzamide is sourced from PubChem (CID 59631671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).