N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C15H18F2N6O — CID 71863253

IUPACN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H18F2N6O/c16-12(17)10-23-8-3-13(21-23)20-15(24)11-1-6-22(7-2-11)14-9-18-4-5-19-14/h3-5,8-9,11-12H,1-2,6-7,10H2,(H,20,21,24)
InChIKeyAHSXRIRTIRCERY-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.79
Rot. Bonds5

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

N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 71863253) has the molecular formula C15H18F2N6O and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID71863253
Molecular FormulaC15H18F2N6O
Molecular Weight336.35 g/mol
Exact Mass336.15
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccn(CC(F)F)n1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H18F2N6O/c16-12(17)10-23-8-3-13(21-23)20-15(24)11-1-6-22(7-2-11)14-9-18-4-5-19-14/h3-5,8-9,11-12H,1-2,6-7,10H2,(H,20,21,24)
InChIKeyAHSXRIRTIRCERY-UHFFFAOYSA-N
XLogP1.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-Pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxamide
CID 40175448
N,N-dimethyl-1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxamide
CID 52673659
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810847
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799114
N-[4-ethyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 149161345
N-[4-ethyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-3,3,3-trifluoropropanamide
CID 149819351
(2,2-Difluorocyclopropyl)-[4-methyl-4-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 151638570
3,3,3-trifluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 153525517
2,2-difluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 153525527
2,2-difluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 153525533
(1S)-2,2-difluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 156315485
4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 156315501

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 71863253) is N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccn(CC(F)F)n1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is AHSXRIRTIRCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N6O/c16-12(17)10-23-8-3-13(21-23)20-15(24)11-1-6-22(7-2-11)14-9-18-4-5-19-14/h3-5,8-9,11-12H,1-2,6-7,10H2,(H,20,21,24).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 71863253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).