2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide

C13H17F4N3O2 — CID 19532088

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C13H17F4N3O2/c1-7(13(21)18-6-8-3-2-4-22-8)20-10(12(16)17)5-9(19-20)11(14)15/h5,7-8,11-12H,2-4,6H2,1H3,(H,18,21)
InChIKeyAJGZHOZPEXDBKK-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.61
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 19532088) has the molecular formula C13H17F4N3O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID19532088
Molecular FormulaC13H17F4N3O2
Molecular Weight323.29 g/mol
Exact Mass323.13
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCC1CCCO1)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C13H17F4N3O2/c1-7(13(21)18-6-8-3-2-4-22-8)20-10(12(16)17)5-9(19-20)11(14)15/h5,7-8,11-12H,2-4,6H2,1H3,(H,18,21)
InChIKeyAJGZHOZPEXDBKK-UHFFFAOYSA-N
XLogP2.61
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
2-(4-bromo-3-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 19533299
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101082
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3237476
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 19532088) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide is CC(C(=O)NCC1CCCO1)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is AJGZHOZPEXDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N3O2/c1-7(13(21)18-6-8-3-2-4-22-8)20-10(12(16)17)5-9(19-20)11(14)15/h5,7-8,11-12H,2-4,6H2,1H3,(H,18,21).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 323.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 19532088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).