1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone

C11H16N2O2 — CID 103986189

IUPAC1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
SMILESCCn1nccc1C(=O)CC1CCOC1
InChIInChI=1S/C11H16N2O2/c1-2-13-10(3-5-12-13)11(14)7-9-4-6-15-8-9/h3,5,9H,2,4,6-8H2,1H3
InChIKeyPOXHFKBVBNZSKS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone

1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 103986189) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
PubChem CID103986189
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone
SMILESCCn1nccc1C(=O)CC1CCOC1
InChIInChI=1S/C11H16N2O2/c1-2-13-10(3-5-12-13)11(14)7-9-4-6-15-8-9/h3,5,9H,2,4,6-8H2,1H3
InChIKeyPOXHFKBVBNZSKS-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanone
CID 103986228
(2-ethylpyrazol-3-yl)-morpholin-3-ylmethanone
CID 116576217
1-(3-methyltriazol-4-yl)-2-(oxolan-3-yl)ethanone
CID 114686188
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
1-(1-ethylindazol-3-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986229
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone (CID 103986189) is 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone is CCn1nccc1C(=O)CC1CCOC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is POXHFKBVBNZSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-13-10(3-5-12-13)11(14)7-9-4-6-15-8-9/h3,5,9H,2,4,6-8H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone?
1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 103986189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).