N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide

C23H15ClF3N3O2S — CID 19496780

IUPACN-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C23H15ClF3N3O2S/c24-16-6-7-18(17(11-16)21(31)15-4-2-1-3-5-15)28-22(32)19-10-14(13-33-19)12-30-9-8-20(29-30)23(25,26)27/h1-11,13H,12H2,(H,28,32)
InChIKeyNFKWRQGDWWMHME-UHFFFAOYSA-N
MW489.91 g/mol
LogP6.15
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide

N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide (PubChem CID 19496780) has the molecular formula C23H15ClF3N3O2S and a molecular weight of 489.91 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
PubChem CID19496780
Molecular FormulaC23H15ClF3N3O2S
Molecular Weight489.91 g/mol
Exact Mass489.05
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C23H15ClF3N3O2S/c24-16-6-7-18(17(11-16)21(31)15-4-2-1-3-5-15)28-22(32)19-10-14(13-33-19)12-30-9-8-20(29-30)23(25,26)27/h1-11,13H,12H2,(H,28,32)
InChIKeyNFKWRQGDWWMHME-UHFFFAOYSA-N
XLogP6.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.91
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-pyrazol-1-ylmethyl)thiophene-2-carboxamide
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3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-1,2,3-triazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376882
1-(4-chlorophenyl)-5-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-pyrazolecarboxamide
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CID 68062194
N-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(trifluoromethyl)benzamide
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3-(5-chloro-2-thienyl)-N-(4-fluorophenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1288527
(3-Chloro-2-fluorophenyl)-[5-(5-thiophen-2-ylthiophen-2-yl)pyrazol-1-yl]methanone
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2-chloro-N-{2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}benzamide
CID 86266346
2-chloro-6-fluoro-N-{2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide (CID 19496780) is N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(Cn2ccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NFKWRQGDWWMHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2S/c24-16-6-7-18(17(11-16)21(31)15-4-2-1-3-5-15)28-22(32)19-10-14(13-33-19)12-30-9-8-20(29-30)23(25,26)27/h1-11,13H,12H2,(H,28,32).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide has a molecular weight of 489.91 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19496780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).