1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone

C12H19N3O2 — CID 116589294

IUPAC1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2CCC(CN)O2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-15-8-9(7-14-15)5-11(16)12-4-3-10(6-13)17-12/h7-8,10,12H,2-6,13H2,1H3
InChIKeyULBRVIXDLXMRMF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.52
Rot. Bonds5

About 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone

1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 116589294) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID116589294
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2CCC(CN)O2)cn1
InChIInChI=1S/C12H19N3O2/c1-2-15-8-9(7-14-15)5-11(16)12-4-3-10(6-13)17-12/h7-8,10,12H,2-6,13H2,1H3
InChIKeyULBRVIXDLXMRMF-UHFFFAOYSA-N
XLogP0.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 116589035
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 65401293
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79087358
2-(1-ethylpyrazol-4-yl)-1-(thian-2-yl)ethanone
CID 80623009
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116601394
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2R,5R)-5-methyloxolan-2-yl]propanamide
CID 97218795
[5-(aminomethyl)oxolan-2-yl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114670126
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(1-ethylpyrazol-4-yl)-4-(oxolan-2-yl)butan-2-one
CID 114965412

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone (CID 116589294) is 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)C2CCC(CN)O2)cn1.
What is the InChIKey of 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is ULBRVIXDLXMRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-8-9(7-14-15)5-11(16)12-4-3-10(6-13)17-12/h7-8,10,12H,2-6,13H2,1H3.
What are the key properties of 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone?
1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116589294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).