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

C11H17N3O2 — CID 116589035

IUPAC[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2CCC(CN)O2)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-8(6-13-14)11(15)10-4-3-9(5-12)16-10/h6-7,9-10H,2-5,12H2,1H3
InChIKeyNETFONHTYXQYLR-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.59
Rot. Bonds4

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

[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone (PubChem CID 116589035) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
PubChem CID116589035
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2CCC(CN)O2)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-8(6-13-14)11(15)10-4-3-9(5-12)16-10/h6-7,9-10H,2-5,12H2,1H3
InChIKeyNETFONHTYXQYLR-UHFFFAOYSA-N
XLogP0.59
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116589294
[5-(aminomethyl)oxolan-2-yl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114670126
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 116580054
(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 116587363
(1,1-dioxothiolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 115336218
(1-ethylpyrazol-4-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385636
(1-ethylpyrazol-4-yl)-(thiolan-3-yl)methanone
CID 105083220
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120788413
(2,2-dimethylcyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 107186691
[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
CID 116589054

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone (CID 116589035) is [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)C2CCC(CN)O2)cn1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is NETFONHTYXQYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-7-8(6-13-14)11(15)10-4-3-9(5-12)16-10/h6-7,9-10H,2-5,12H2,1H3.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 116589035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).