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

C24H17ClF3N3O2 — CID 59631641

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C24H17ClF3N3O2/c1-33-18-6-4-5-17(13-18)29-23(32)16-11-9-15(10-12-16)21-14-22(24(26,27)28)30-31(21)20-8-3-2-7-19(20)25/h2-14H,1H3,(H,29,32)
InChIKeyYKDXHNCKGOZDFZ-UHFFFAOYSA-N
MW471.87 g/mol
LogP6.47
Rot. Bonds5

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

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide (PubChem CID 59631641) has the molecular formula C24H17ClF3N3O2 and a molecular weight of 471.87 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide
PubChem CID59631641
Molecular FormulaC24H17ClF3N3O2
Molecular Weight471.87 g/mol
Exact Mass471.10
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C24H17ClF3N3O2/c1-33-18-6-4-5-17(13-18)29-23(32)16-11-9-15(10-12-16)21-14-22(24(26,27)28)30-31(21)20-8-3-2-7-19(20)25/h2-14H,1H3,(H,29,32)
InChIKeyYKDXHNCKGOZDFZ-UHFFFAOYSA-N
XLogP6.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.87
LogP ≤ 56.47
H-Bond Donors ≤ 51
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-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide (CID 59631641) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is YKDXHNCKGOZDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N3O2/c1-33-18-6-4-5-17(13-18)29-23(32)16-11-9-15(10-12-16)21-14-22(24(26,27)28)30-31(21)20-8-3-2-7-19(20)25/h2-14H,1H3,(H,29,32).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 471.87 g/mol, XLogP of 6.47, 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-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 59631641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).