1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone

C11H16N2O2 — CID 115092483

IUPAC1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(C2CCCOC2)nn1C
InChIInChI=1S/C11H16N2O2/c1-8(14)11-6-10(12-13(11)2)9-4-3-5-15-7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyWJJRHXRQOSFYKH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.52
Rot. Bonds2

About 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone

1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone (PubChem CID 115092483) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
PubChem CID115092483
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
SMILESCC(=O)c1cc(C2CCCOC2)nn1C
InChIInChI=1S/C11H16N2O2/c1-8(14)11-6-10(12-13(11)2)9-4-3-5-15-7-9/h6,9H,3-5,7H2,1-2H3
InChIKeyWJJRHXRQOSFYKH-UHFFFAOYSA-N
XLogP1.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone
CID 115092631
N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-3-phenoxypropanamide
CID 122143752
1-cyclopropyl-3-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-[(2-methylpyrazol-3-yl)methyl]urea
CID 155957495
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
1-ethyl-3-(oxolan-3-yl)pyrazole-5-carboxylic acid
CID 131606295
(3aS,6aR)-2-[[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122092130
1-ethyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]indole-3-carboxamide
CID 136538449
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119036856
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
N-(3-cyclohexyl-1-methylpyrazol-5-yl)morpholine-3-carboxamide;hydrochloride
CID 119808460

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone (CID 115092483) is 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone is CC(=O)c1cc(C2CCCOC2)nn1C.
What is the InChIKey of 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone?
The InChIKey is WJJRHXRQOSFYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)11-6-10(12-13(11)2)9-4-3-5-15-7-9/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone?
1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone is sourced from PubChem (CID 115092483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).