N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C13H19F3N4O — CID 136517991

IUPACN-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C13H19F3N4O/c1-9(11-5-17-18-6-11)19-12(21)10-3-2-4-20(7-10)8-13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H,19,21)
InChIKeyAMDKMXUHSVQYCM-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 136517991) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID136517991
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCN(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C13H19F3N4O/c1-9(11-5-17-18-6-11)19-12(21)10-3-2-4-20(7-10)8-13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H,19,21)
InChIKeyAMDKMXUHSVQYCM-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43603369
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53539367
N-ethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71998433
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75494418
(3S)-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903177
(3R)-1-[2-(1-methylpyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 95903178

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 136517991) is N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCCN(CC(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is AMDKMXUHSVQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-9(11-5-17-18-6-11)19-12(21)10-3-2-4-20(7-10)8-13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H,19,21).
What are the key properties of N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 136517991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).