N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C24H24F3N5O2 — CID 160718695

IUPACN-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCCC(=O)N1CCC(c2cccnc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O2/c25-24(26,27)22-20(16-32(30-22)19-7-2-1-3-8-19)23(34)29-12-5-9-21(33)31-13-10-18(15-31)17-6-4-11-28-14-17/h1-4,6-8,11,14,16,18H,5,9-10,12-13,15H2,(H,29,34)
InChIKeyRSUTWIWNWWEIHA-UHFFFAOYSA-N
MW471.48 g/mol
LogP3.81
Rot. Bonds7

About N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 160718695) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID160718695
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCCC(=O)N1CCC(c2cccnc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O2/c25-24(26,27)22-20(16-32(30-22)19-7-2-1-3-8-19)23(34)29-12-5-9-21(33)31-13-10-18(15-31)17-6-4-11-28-14-17/h1-4,6-8,11,14,16,18H,5,9-10,12-13,15H2,(H,29,34)
InChIKeyRSUTWIWNWWEIHA-UHFFFAOYSA-N
XLogP3.81
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-(4-propylsulfonylpiperidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 158858702
N-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 161431236
N-[4-oxo-4-(3-oxo-4-phenylpiperazin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 160698834
1-phenyl-N-[2-[[4-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 66687095
N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 66687031
4-benzamido-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperidine-1-carboxamide
CID 66687134
N-[4-[4-[(S)-hydroxy(phenyl)methyl]cyclohexyl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159284157
4-(1-methylpyrazole-4-carbonyl)-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperidine-1-carboxamide
CID 66686364
N-[4-oxo-4-[4-(2-phenyl-1,3-oxazol-5-yl)cyclohexyl]butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 159850667
4-(cyclohexanecarbonylamino)-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]piperidine-1-carboxamide
CID 66694052
4-[4-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylic acid
CID 174620569
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-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 160718695) is N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCCC(=O)N1CCC(c2cccnc2)C1)c1cn(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RSUTWIWNWWEIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c25-24(26,27)22-20(16-32(30-22)19-7-2-1-3-8-19)23(34)29-12-5-9-21(33)31-13-10-18(15-31)17-6-4-11-28-14-17/h1-4,6-8,11,14,16,18H,5,9-10,12-13,15H2,(H,29,34).
What are the key properties of N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(3-pyridin-3-ylpyrrolidin-1-yl)butyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 160718695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).