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

C10H14N2O2 — CID 82868765

IUPAC2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2CCOC2)n1
InChIInChI=1S/C10H14N2O2/c1-12-4-2-9(11-12)6-10(13)8-3-5-14-7-8/h2,4,8H,3,5-7H2,1H3
InChIKeyBQJHNDSQTCWEKT-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.57
Rot. Bonds3

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

2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 82868765) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
PubChem CID82868765
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2CCOC2)n1
InChIInChI=1S/C10H14N2O2/c1-12-4-2-9(11-12)6-10(13)8-3-5-14-7-8/h2,4,8H,3,5-7H2,1H3
InChIKeyBQJHNDSQTCWEKT-UHFFFAOYSA-N
XLogP0.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone (CID 82868765) is 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone is Cn1ccc(CC(=O)C2CCOC2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is BQJHNDSQTCWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-4-2-9(11-12)6-10(13)8-3-5-14-7-8/h2,4,8H,3,5-7H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone?
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 82868765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).