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

C23H16ClF3N4O — CID 44763083

IUPAC4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H16ClF3N4O/c24-17-8-4-14(5-9-17)20-13-21(28)31(30-20)19-10-6-15(7-11-19)22(32)29-18-3-1-2-16(12-18)23(25,26)27/h1-13H,28H2,(H,29,32)
InChIKeyYZYWCEWFQCLPOR-UHFFFAOYSA-N
MW456.86 g/mol
LogP6.05
Rot. Bonds4

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

4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 44763083) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID44763083
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC Name4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H16ClF3N4O/c24-17-8-4-14(5-9-17)20-13-21(28)31(30-20)19-10-6-15(7-11-19)22(32)29-18-3-1-2-16(12-18)23(25,26)27/h1-13H,28H2,(H,29,32)
InChIKeyYZYWCEWFQCLPOR-UHFFFAOYSA-N
XLogP6.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4680949
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(2,2-diphenylethyl)benzamide
CID 44763232
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-(4-methylpentan-2-yl)benzamide
CID 44763218
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]benzoic acid
CID 24786705
1-[(4-chlorophenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 3778980
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100457
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 44763083) is 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YZYWCEWFQCLPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O/c24-17-8-4-14(5-9-17)20-13-21(28)31(30-20)19-10-6-15(7-11-19)22(32)29-18-3-1-2-16(12-18)23(25,26)27/h1-13H,28H2,(H,29,32).
What are the key properties of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 456.86 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44763083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).