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

C25H18ClF3N4O2 — CID 59631722

IUPACN-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H18ClF3N4O2/c1-15(34)30-18-10-12-19(13-11-18)31-24(35)17-8-6-16(7-9-17)22-14-23(25(27,28)29)32-33(22)21-5-3-2-4-20(21)26/h2-14H,1H3,(H,30,34)(H,31,35)
InChIKeyUQXSUNBXXSAYEK-UHFFFAOYSA-N
MW498.89 g/mol
LogP6.42
Rot. Bonds5

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

N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59631722) has the molecular formula C25H18ClF3N4O2 and a molecular weight of 498.89 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59631722
Molecular FormulaC25H18ClF3N4O2
Molecular Weight498.89 g/mol
Exact Mass498.11
IUPAC NameN-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H18ClF3N4O2/c1-15(34)30-18-10-12-19(13-11-18)31-24(35)17-8-6-16(7-9-17)22-14-23(25(27,28)29)32-33(22)21-5-3-2-4-20(21)26/h2-14H,1H3,(H,30,34)(H,31,35)
InChIKeyUQXSUNBXXSAYEK-UHFFFAOYSA-N
XLogP6.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.89
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59631722) is N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is UQXSUNBXXSAYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O2/c1-15(34)30-18-10-12-19(13-11-18)31-24(35)17-8-6-16(7-9-17)22-14-23(25(27,28)29)32-33(22)21-5-3-2-4-20(21)26/h2-14H,1H3,(H,30,34)(H,31,35).
What are the key properties of N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 498.89 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59631722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).