N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H17ClF3N3O — CID 59240091

IUPACN-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C24H17ClF3N3O/c25-18-11-5-7-13-20(18)31-21(15-22(30-31)24(26,27)28)23(32)29-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,29,32)
InChIKeyBQUXPCYOTIDDBU-UHFFFAOYSA-N
MW455.87 g/mol
LogP6.39
Rot. Bonds5

About N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 59240091) has the molecular formula C24H17ClF3N3O and a molecular weight of 455.87 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID59240091
Molecular FormulaC24H17ClF3N3O
Molecular Weight455.87 g/mol
Exact Mass455.10
IUPAC NameN-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl
InChIInChI=1S/C24H17ClF3N3O/c25-18-11-5-7-13-20(18)31-21(15-22(30-31)24(26,27)28)23(32)29-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,29,32)
InChIKeyBQUXPCYOTIDDBU-UHFFFAOYSA-N
XLogP6.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.87
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 59240091) is N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)c1cc(C(F)(F)F)nn1-c1ccccc1Cl.
What is the InChIKey of N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is BQUXPCYOTIDDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O/c25-18-11-5-7-13-20(18)31-21(15-22(30-31)24(26,27)28)23(32)29-19-12-6-4-10-17(19)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,29,32).
What are the key properties of N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 455.87 g/mol, XLogP of 6.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 59240091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).