2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

C15H22N2O2 — CID 64783942

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCCC(C)n1ccc(CC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C15H22N2O2/c1-3-10(2)17-7-6-11(16-17)8-14(18)13-9-12-4-5-15(13)19-12/h6-7,10,12-13,15H,3-5,8-9H2,1-2H3
InChIKeyNUIMXCBLTCEADO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.53
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (PubChem CID 64783942) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
PubChem CID64783942
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESCCC(C)n1ccc(CC(=O)C2CC3CCC2O3)n1
InChIInChI=1S/C15H22N2O2/c1-3-10(2)17-7-6-11(16-17)8-14(18)13-9-12-4-5-15(13)19-12/h6-7,10,12-13,15H,3-5,8-9H2,1-2H3
InChIKeyNUIMXCBLTCEADO-UHFFFAOYSA-N
XLogP2.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone with MolForge

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Related Compounds

3-(2-Methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
CID 103024318
Methyl 5-(2-methylpyrazol-3-yl)-2-oxocyclohexane-1-carboxylate
CID 57606686
[3-(2-Methylpyrazol-3-yl)-5-oxocyclohexyl] propanoate
CID 70394383
2-[2-(Oxan-2-yl)pyrazol-3-yl]cyclohexan-1-one
CID 137463867
7-Oxabicyclo[2.2.1]heptan-2-yl-(2-propylpyrazol-3-yl)methanone
CID 64186617
(2-Ethylpyrazol-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 64186618
(2-Methylpyrazol-3-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 64187816
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771224
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771225
4-Methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 64771356
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64771894
1-(Oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64772784

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (CID 64783942) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is CCC(C)n1ccc(CC(=O)C2CC3CCC2O3)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The InChIKey is NUIMXCBLTCEADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-10(2)17-7-6-11(16-17)8-14(18)13-9-12-4-5-15(13)19-12/h6-7,10,12-13,15H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is sourced from PubChem (CID 64783942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).