2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone

C17H20N2O — CID 107331781

IUPAC2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
SMILESO=C(CC1CCCCC1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(13-14-7-3-1-4-8-14)16-11-12-18-19(16)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2
InChIKeyIOWAROUKIKGEGR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.03
Rot. Bonds4

About 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone

2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone (PubChem CID 107331781) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
PubChem CID107331781
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
SMILESO=C(CC1CCCCC1)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(13-14-7-3-1-4-8-14)16-11-12-18-19(16)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2
InChIKeyIOWAROUKIKGEGR-UHFFFAOYSA-N
XLogP4.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
1-(2-phenylpyrazol-3-yl)-2-pyrrolidin-3-ylethanone
CID 107331673
2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
CID 43340159
3-(oxan-2-yl)-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331880
2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197919
2-cyclobutyl-1-(5-fluoro-1-phenylpyrazol-4-yl)ethanone
CID 114244061
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
CID 107331683
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
oxan-4-yl-(2-phenylpyrazol-3-yl)methanone
CID 107330154
2-(1,4-diazepan-1-yl)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331630
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone (CID 107331781) is 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone is O=C(CC1CCCCC1)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone?
The InChIKey is IOWAROUKIKGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(13-14-7-3-1-4-8-14)16-11-12-18-19(16)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2.
What are the key properties of 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone?
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107331781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).