1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide

C24H18ClF3N4O — CID 46917889

IUPAC1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H18ClF3N4O/c1-15(17-7-12-21(29-13-17)24(26,27)28)30-23(33)20-14-32(19-10-8-18(25)9-11-19)31-22(20)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,33)/t15-/m1/s1
InChIKeyGAWWSPXBGMBRNN-OAHLLOKOSA-N
MW470.88 g/mol
LogP6.10
Rot. Bonds5

About 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide (PubChem CID 46917889) has the molecular formula C24H18ClF3N4O and a molecular weight of 470.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
PubChem CID46917889
Molecular FormulaC24H18ClF3N4O
Molecular Weight470.88 g/mol
Exact Mass470.11
IUPAC Name1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C24H18ClF3N4O/c1-15(17-7-12-21(29-13-17)24(26,27)28)30-23(33)20-14-32(19-10-8-18(25)9-11-19)31-22(20)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,33)/t15-/m1/s1
InChIKeyGAWWSPXBGMBRNN-OAHLLOKOSA-N
XLogP6.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.88
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917823
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 9481788
N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
3-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 7721800
1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 167853535
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide (CID 46917889) is 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is GAWWSPXBGMBRNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H18ClF3N4O/c1-15(17-7-12-21(29-13-17)24(26,27)28)30-23(33)20-14-32(19-10-8-18(25)9-11-19)31-22(20)16-5-3-2-4-6-16/h2-15H,1H3,(H,30,33)/t15-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 470.88 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46917889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).