N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C12H15F5N4O — CID 75448682

IUPACN-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCC(F)F)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F5N4O/c13-10(14)7-18-11(22)20-4-1-8(2-5-20)21-6-3-9(19-21)12(15,16)17/h3,6,8,10H,1-2,4-5,7H2,(H,18,22)
InChIKeyVWCACLAYDDXHMC-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.51
Rot. Bonds3

About N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 75448682) has the molecular formula C12H15F5N4O and a molecular weight of 326.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID75448682
Molecular FormulaC12H15F5N4O
Molecular Weight326.27 g/mol
Exact Mass326.12
IUPAC NameN-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(NCC(F)F)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H15F5N4O/c13-10(14)7-18-11(22)20-4-1-8(2-5-20)21-6-3-9(19-21)12(15,16)17/h3,6,8,10H,1-2,4-5,7H2,(H,18,22)
InChIKeyVWCACLAYDDXHMC-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(4-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448561
N-(1-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448733
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84597978
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
3-(3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine
CID 61632463
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454
1-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 134790097
3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]-1H-imidazol-2-one
CID 134791976
N-[2-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]propan-2-amine
CID 99838933

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 75448682) is N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(NCC(F)F)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is VWCACLAYDDXHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N4O/c13-10(14)7-18-11(22)20-4-1-8(2-5-20)21-6-3-9(19-21)12(15,16)17/h3,6,8,10H,1-2,4-5,7H2,(H,18,22).
What are the key properties of N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75448682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).