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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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).