1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide

C25H20F4N4O — CID 46917823

IUPAC1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)c(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C25H20F4N4O/c1-15-8-10-21(20(26)12-15)33-14-19(23(32-33)17-6-4-3-5-7-17)24(34)31-16(2)18-9-11-22(30-13-18)25(27,28)29/h3-14,16H,1-2H3,(H,31,34)/t16-/m1/s1
InChIKeyQTDBZFNTIQOROH-MRXNPFEDSA-N
MW468.45 g/mol
LogP5.89
Rot. Bonds5

About 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide

1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide (PubChem CID 46917823) has the molecular formula C25H20F4N4O and a molecular weight of 468.45 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
PubChem CID46917823
Molecular FormulaC25H20F4N4O
Molecular Weight468.45 g/mol
Exact Mass468.16
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)c(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C25H20F4N4O/c1-15-8-10-21(20(26)12-15)33-14-19(23(32-33)17-6-4-3-5-7-17)24(34)31-16(2)18-9-11-22(30-13-18)25(27,28)29/h3-14,16H,1-2H3,(H,31,34)/t16-/m1/s1
InChIKeyQTDBZFNTIQOROH-MRXNPFEDSA-N
XLogP5.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917889
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide
CID 46918086
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
1-methyl-5-[[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 167853535
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 40795701
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 41259195
N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
2-fluoro-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 79778156
3-(2-chlorophenyl)-1-(4-methylphenyl)-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]indole-6-carboxamide
CID 134172134

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide (CID 46917823) is 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)N[C@H](C)c3ccc(C(F)(F)F)nc3)c(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is QTDBZFNTIQOROH-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H20F4N4O/c1-15-8-10-21(20(26)12-15)33-14-19(23(32-33)17-6-4-3-5-7-17)24(34)31-16(2)18-9-11-22(30-13-18)25(27,28)29/h3-14,16H,1-2H3,(H,31,34)/t16-/m1/s1.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide?
1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 468.45 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46917823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).