[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone

C16H24F2N4O2 — CID 164636205

IUPAC[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
SMILESCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C16H24F2N4O2/c1-2-22-13(3-5-19-22)15-12(4-10-24-15)16(23)21-8-6-20(7-9-21)11-14(17)18/h3,5,12,14-15H,2,4,6-11H2,1H3/t12-,15-/m0/s1
InChIKeyNTIYVCGASRRQJJ-WFASDCNBSA-N
MW342.39 g/mol
LogP1.39
Rot. Bonds5

About [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone

[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone (PubChem CID 164636205) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
PubChem CID164636205
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone
SMILESCCn1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCN(CC(F)F)CC1
InChIInChI=1S/C16H24F2N4O2/c1-2-22-13(3-5-19-22)15-12(4-10-24-15)16(23)21-8-6-20(7-9-21)11-14(17)18/h3,5,12,14-15H,2,4,6-11H2,1H3/t12-,15-/m0/s1
InChIKeyNTIYVCGASRRQJJ-WFASDCNBSA-N
XLogP1.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

rac-(2R,3R)-2-(1-ethyl-1H-pyrazol-5-yl)oxane-3-carbaldehyde
CID 122164208
(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-(2-sulfanylethyl)oxolane-3-carboxamide
CID 177680332
3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
CID 126797179
(3-methylsulfonylpiperidin-1-yl)-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methanone
CID 128062224
(2R,3R)-N-(2-ethyl-2-methoxybutyl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 137977335
(2S,3S)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 164631091
N-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]-2,2-difluoro-2-(1-hydroxycyclopentyl)acetamide
CID 120916532
1-(2,2-difluoroethyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperidine-4-carboxamide
CID 128354527
(2S,3S)-N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methyloxolane-3-carboxamide
CID 128966151
[(2S,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolan-3-yl]-piperidin-1-ylmethanone
CID 128966191
(2S,3S)-N,N-diethyl-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxamide
CID 128966849
(2S,3S)-N-methyl-2-[2-(2-methylphenyl)pyrazol-3-yl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 128967260

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone?
The IUPAC name of [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone (CID 164636205) is [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone.
What is the SMILES notation for [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone?
The canonical SMILES for [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone is CCn1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCN(CC(F)F)CC1.
What is the InChIKey of [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone?
The InChIKey is NTIYVCGASRRQJJ-WFASDCNBSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-2-22-13(3-5-19-22)15-12(4-10-24-15)16(23)21-8-6-20(7-9-21)11-14(17)18/h3,5,12,14-15H,2,4,6-11H2,1H3/t12-,15-/m0/s1.
What are the key properties of [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone?
[4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone has a molecular weight of 342.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)piperazin-1-yl]-[(2S,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanone is sourced from PubChem (CID 164636205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).