1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide

C25H26F6N6O3 — CID 24786026

IUPAC1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCC(c2nnc(CCC(F)(F)F)o2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C25H26F6N6O3/c26-24(27,28)11-10-19-34-35-23(40-19)16-8-6-15(7-9-16)21(38)32-12-13-33-22(39)18-14-37(17-4-2-1-3-5-17)36-20(18)25(29,30)31/h1-5,14-16H,6-13H2,(H,32,38)(H,33,39)
InChIKeyYXJIIYQEUMEVQR-UHFFFAOYSA-N
MW572.51 g/mol
LogP4.59
Rot. Bonds9

About 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide

1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide (PubChem CID 24786026) has the molecular formula C25H26F6N6O3 and a molecular weight of 572.51 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide
PubChem CID24786026
Molecular FormulaC25H26F6N6O3
Molecular Weight572.51 g/mol
Exact Mass572.20
IUPAC Name1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCC(c2nnc(CCC(F)(F)F)o2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C25H26F6N6O3/c26-24(27,28)11-10-19-34-35-23(40-19)16-8-6-15(7-9-16)21(38)32-12-13-33-22(39)18-14-37(17-4-2-1-3-5-17)36-20(18)25(29,30)31/h1-5,14-16H,6-13H2,(H,32,38)(H,33,39)
InChIKeyYXJIIYQEUMEVQR-UHFFFAOYSA-N
XLogP4.59
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[2-[(4-pyrazol-1-ylbenzoyl)amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
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N-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155546287
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
CID 25163585
1,3-diphenyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrazole-4-carboxamide
CID 134134012
3-(4-fluorophenyl)-1-phenyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrazole-4-carboxamide
CID 134154175
N-[[4-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155519636
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155530054
N-[[4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155538801
N-[[4-[[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 155546916
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24816950
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
3-(4-fluorophenyl)-N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134133025

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide (CID 24786026) is 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide is O=C(NCCNC(=O)C1CCC(c2nnc(CCC(F)(F)F)o2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide?
The InChIKey is YXJIIYQEUMEVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N6O3/c26-24(27,28)11-10-19-34-35-23(40-19)16-8-6-15(7-9-16)21(38)32-12-13-33-22(39)18-14-37(17-4-2-1-3-5-17)36-20(18)25(29,30)31/h1-5,14-16H,6-13H2,(H,32,38)(H,33,39).
What are the key properties of 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide?
1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide has a molecular weight of 572.51 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethyl)-N-[2-[[4-[5-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarbonyl]amino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24786026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).