3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one

C15H24N4O2 — CID 126797179

IUPAC3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C15H24N4O2/c1-3-12-15(20)16-7-8-19(12)10-11-5-9-21-14(11)13-4-6-17-18(13)2/h4,6,11-12,14H,3,5,7-10H2,1-2H3,(H,16,20)/t11-,12?,14+/m0/s1
InChIKeyLMQVHENAHHJXGM-HFUMIRBISA-N
MW292.38 g/mol
LogP0.71
Rot. Bonds4

About 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one

3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one (PubChem CID 126797179) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
PubChem CID126797179
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C15H24N4O2/c1-3-12-15(20)16-7-8-19(12)10-11-5-9-21-14(11)13-4-6-17-18(13)2/h4,6,11-12,14H,3,5,7-10H2,1-2H3,(H,16,20)/t11-,12?,14+/m0/s1
InChIKeyLMQVHENAHHJXGM-HFUMIRBISA-N
XLogP0.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

rac-[(2R,3S)-2-(1-ethyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164258
rac-[(2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxan-3-yl]methanamine
CID 122164438
rac-((2R,3S)-2-(1-methyl-1H-pyrazol-5-yl)oxolan-3-yl)methanamine dihydrochloride
CID 86811701
(2R,3R)-2-(2-ethylpyrazol-3-yl)-N-(2-sulfanylethyl)oxolane-3-carboxamide
CID 177680332
[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 86811549
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]cyclopent-3-ene-1-carboxamide
CID 121558812
N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]-2,3-di(propan-2-yl)azetidine-1-carboxamide
CID 128690020
3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]butanamide
CID 132303366
(2R,3R)-N-(2-ethyl-2-methoxybutyl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 137977335
1-[(2S,3S)-2-[2-(cyclopropylmethyl)pyrazol-3-yl]oxolan-3-yl]-3-(2-ethyloxan-4-yl)urea
CID 164630362
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 164634336
2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide
CID 164636078

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one (CID 126797179) is 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one is CCC1C(=O)NCCN1C[C@@H]1CCO[C@H]1c1ccnn1C.
What is the InChIKey of 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
The InChIKey is LMQVHENAHHJXGM-HFUMIRBISA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-12-15(20)16-7-8-19(12)10-11-5-9-21-14(11)13-4-6-17-18(13)2/h4,6,11-12,14H,3,5,7-10H2,1-2H3,(H,16,20)/t11-,12?,14+/m0/s1.
What are the key properties of 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one?
3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one has a molecular weight of 292.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one is sourced from PubChem (CID 126797179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).