1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide

C13H16F4N4O2 — CID 4765475

IUPAC1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2nc(C(F)F)cc2C(F)F)CC1
InChIInChI=1S/C13H16F4N4O2/c14-11(15)8-5-9(12(16)17)21(19-8)6-10(22)20-3-1-7(2-4-20)13(18)23/h5,7,11-12H,1-4,6H2,(H2,18,23)
InChIKeyLLQNDXMWDRSFFZ-UHFFFAOYSA-N
MW336.29 g/mol
LogP1.48
Rot. Bonds5

About 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 4765475) has the molecular formula C13H16F4N4O2 and a molecular weight of 336.29 g/mol. Its IUPAC name is 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID4765475
Molecular FormulaC13H16F4N4O2
Molecular Weight336.29 g/mol
Exact Mass336.12
IUPAC Name1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cn2nc(C(F)F)cc2C(F)F)CC1
InChIInChI=1S/C13H16F4N4O2/c14-11(15)8-5-9(12(16)17)21(19-8)6-10(22)20-3-1-7(2-4-20)13(18)23/h5,7,11-12H,1-4,6H2,(H2,18,23)
InChIKeyLLQNDXMWDRSFFZ-UHFFFAOYSA-N
XLogP1.48
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide (CID 4765475) is 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cn2nc(C(F)F)cc2C(F)F)CC1.
What is the InChIKey of 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is LLQNDXMWDRSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N4O2/c14-11(15)8-5-9(12(16)17)21(19-8)6-10(22)20-3-1-7(2-4-20)13(18)23/h5,7,11-12H,1-4,6H2,(H2,18,23).
What are the key properties of 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 336.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 4765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).