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

C17H24N2O2 — CID 64783940

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)C1CC2CCC1O2
InChIInChI=1S/C17H24N2O2/c20-16(15-11-14-6-7-17(15)21-14)10-12-8-9-19(18-12)13-4-2-1-3-5-13/h8-9,13-15,17H,1-7,10-11H2
InChIKeyFQPUQRLRUBHLEI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.07
Rot. Bonds4

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

2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (PubChem CID 64783940) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
PubChem CID64783940
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
SMILESO=C(Cc1ccn(C2CCCCC2)n1)C1CC2CCC1O2
InChIInChI=1S/C17H24N2O2/c20-16(15-11-14-6-7-17(15)21-14)10-12-8-9-19(18-12)13-4-2-1-3-5-13/h8-9,13-15,17H,1-7,10-11H2
InChIKeyFQPUQRLRUBHLEI-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methylpyrazol-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
CID 103024318
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)ethanone
CID 64771894
1-(Oxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64772784
2-(1-Cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 64779609
1-Cyclohexyl-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 64783352
1-(1-Cyclohexylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783536
1-(Oxolan-2-yl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783537
1-(1-Butan-2-ylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783538

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone (CID 64783940) is 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is O=C(Cc1ccn(C2CCCCC2)n1)C1CC2CCC1O2.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
The InChIKey is FQPUQRLRUBHLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(15-11-14-6-7-17(15)21-14)10-12-8-9-19(18-12)13-4-2-1-3-5-13/h8-9,13-15,17H,1-7,10-11H2.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone?
2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone is sourced from PubChem (CID 64783940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).