1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone

C10H14N2O2 — CID 105448069

IUPAC1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1C1CCOCC1
InChIInChI=1S/C10H14N2O2/c1-7(13)9-6-11-12-10(9)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,11,12)
InChIKeyZHCTXEFJBDKVBT-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.51
Rot. Bonds2

About 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone

1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone (PubChem CID 105448069) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
PubChem CID105448069
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1cn[nH]c1C1CCOCC1
InChIInChI=1S/C10H14N2O2/c1-7(13)9-6-11-12-10(9)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,11,12)
InChIKeyZHCTXEFJBDKVBT-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
[5-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
CID 121212017
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
CID 121212036
N-(dicyclopropylmethyl)-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129471954
4-bromo-5-(oxan-4-yl)-1H-pyrazole
CID 83711956
5-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 82409142
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 129472204
N-(1-methylsulfanylbutan-2-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129001193
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129477024
N-methyl-5-[(3R)-oxolan-3-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 129477803

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone (CID 105448069) is 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone is CC(=O)c1cn[nH]c1C1CCOCC1.
What is the InChIKey of 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone?
The InChIKey is ZHCTXEFJBDKVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(13)9-6-11-12-10(9)8-2-4-14-5-3-8/h6,8H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone?
1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 105448069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).