N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C56H58F6N6O6 — CID 159284156

IUPACN-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCCC(=O)C1CCC(C(=O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F.O=C(NCCCC(=O)C1CCC([C@H](O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H30F3N3O3.C28H28F3N3O3/c2*29-28(30,31)26-23(18-34(33-26)22-10-5-2-6-11-22)27(37)32-17-7-12-24(35)19-13-15-21(16-14-19)25(36)20-8-3-1-4-9-20/h1-6,8-11,18-19,21,25,36H,7,12-17H2,(H,32,37);1-6,8-11,18-19,21H,7,12-17H2,(H,32,37)/t19?,21?,25-;/m1./s1
InChIKeyKZHIQRXFOHDKMJ-KXKMVUBISA-N
MW1025.10 g/mol
LogP11.17
Rot. Bonds18

About N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 159284156) has the molecular formula C56H58F6N6O6 and a molecular weight of 1025.10 g/mol. Its IUPAC name is N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID159284156
Molecular FormulaC56H58F6N6O6
Molecular Weight1025.10 g/mol
Exact Mass1024.43
IUPAC NameN-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCCC(=O)C1CCC(C(=O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F.O=C(NCCCC(=O)C1CCC([C@H](O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C28H30F3N3O3.C28H28F3N3O3/c2*29-28(30,31)26-23(18-34(33-26)22-10-5-2-6-11-22)27(37)32-17-7-12-24(35)19-13-15-21(16-14-19)25(36)20-8-3-1-4-9-20/h1-6,8-11,18-19,21,25,36H,7,12-17H2,(H,32,37);1-6,8-11,18-19,21H,7,12-17H2,(H,32,37)/t19?,21?,25-;/m1./s1
InChIKeyKZHIQRXFOHDKMJ-KXKMVUBISA-N
XLogP11.17
TPSA165.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.10
LogP ≤ 511.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159284157
N-[2-[(4-benzoylcyclohexanecarbonyl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66686507
N-[4-oxo-4-[4-(2-phenyl-1,3-oxazol-5-yl)cyclohexyl]butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159850667
N-[4-oxo-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexyl]butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158906916
N-[2-[(3-benzoylcyclohexanecarbonyl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66694044
N-[4-oxo-4-(2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158108015
N-[4-oxo-4-(2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 149355734
4-(1-methylpyrazole-4-carbonyl)-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperidine-1-carboxamide
CID 66686364
N-[2-[(3-benzoyl-4-propan-2-ylcyclopentanecarbonyl)amino]ethyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66693818
1-phenyl-N-[2-[[4-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66687095
N-[4-[4-(4-bromo-5-phenyl-1,3-oxazol-2-yl)cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;methyl 5-phenyl-2-[4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]butanoyl]cyclohexyl]-1,3-oxazole-4-carboxylate
CID 159905235
N-[4-oxo-4-(2-pyrazin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158343959

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 159284156) is N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCCC(=O)C1CCC(C(=O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F.O=C(NCCCC(=O)C1CCC([C@H](O)c2ccccc2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KZHIQRXFOHDKMJ-KXKMVUBISA-N. The full InChI is InChI=1S/C28H30F3N3O3.C28H28F3N3O3/c2*29-28(30,31)26-23(18-34(33-26)22-10-5-2-6-11-22)27(37)32-17-7-12-24(35)19-13-15-21(16-14-19)25(36)20-8-3-1-4-9-20/h1-6,8-11,18-19,21,25,36H,7,12-17H2,(H,32,37);1-6,8-11,18-19,21H,7,12-17H2,(H,32,37)/t19?,21?,25-;/m1./s1.
What are the key properties of N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 1025.10 g/mol, XLogP of 11.17, 18 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylcyclohexyl)-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 159284156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).