4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide

C23H16ClF3N4O — CID 59631625

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide
SMILESCN(C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)c1ccccn1
InChIInChI=1S/C23H16ClF3N4O/c1-30(21-8-4-5-13-28-21)22(32)16-11-9-15(10-12-16)19-14-20(23(25,26)27)29-31(19)18-7-3-2-6-17(18)24/h2-14H,1H3
InChIKeyOYJJBSLSACKMLT-UHFFFAOYSA-N
MW456.86 g/mol
LogP5.88
Rot. Bonds4

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide (PubChem CID 59631625) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide
PubChem CID59631625
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide
SMILESCN(C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)c1ccccn1
InChIInChI=1S/C23H16ClF3N4O/c1-30(21-8-4-5-13-28-21)22(32)16-11-9-15(10-12-16)19-14-20(23(25,26)27)29-31(19)18-7-3-2-6-17(18)24/h2-14H,1H3
InChIKeyOYJJBSLSACKMLT-UHFFFAOYSA-N
XLogP5.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide (CID 59631625) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide is CN(C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)c1ccccn1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide?
The InChIKey is OYJJBSLSACKMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O/c1-30(21-8-4-5-13-28-21)22(32)16-11-9-15(10-12-16)19-14-20(23(25,26)27)29-31(19)18-7-3-2-6-17(18)24/h2-14H,1H3.
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methyl-N-pyridin-2-ylbenzamide has a molecular weight of 456.86 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 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-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 59631625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).