(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone

C10H15N3O2 — CID 116587363

IUPAC(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2COCC2N)cn1
InChIInChI=1S/C10H15N3O2/c1-2-13-4-7(3-12-13)10(14)8-5-15-6-9(8)11/h3-4,8-9H,2,5-6,11H2,1H3
InChIKeyGMRNJMWCRMFQRW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.06
Rot. Bonds3

About (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone

(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone (PubChem CID 116587363) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
PubChem CID116587363
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone
SMILESCCn1cc(C(=O)C2COCC2N)cn1
InChIInChI=1S/C10H15N3O2/c1-2-13-4-7(3-12-13)10(14)8-5-15-6-9(8)11/h3-4,8-9H,2,5-6,11H2,1H3
InChIKeyGMRNJMWCRMFQRW-UHFFFAOYSA-N
XLogP0.06
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminocyclopentyl)-(1-ethylpyrazol-4-yl)methanone
CID 116580054
(1-ethylpyrazol-4-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171950694
(4-aminooxolan-3-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670043
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
7-azabicyclo[2.2.1]heptan-2-yl-(1-ethylpyrazol-4-yl)methanone
CID 116575868
[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 116589035
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-ethylpyrazole-4-carboxamide
CID 135096220
(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
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone (CID 116587363) is (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone is CCn1cc(C(=O)C2COCC2N)cn1.
What is the InChIKey of (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone?
The InChIKey is GMRNJMWCRMFQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-13-4-7(3-12-13)10(14)8-5-15-6-9(8)11/h3-4,8-9H,2,5-6,11H2,1H3.
What are the key properties of (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone?
(4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(1-ethylpyrazol-4-yl)methanone is sourced from PubChem (CID 116587363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).