2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone

C17H20N2O — CID 43340159

IUPAC2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
SMILESO=C(CC1CCCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c20-17(11-14-7-3-1-4-8-14)15-12-18-19(13-15)16-9-5-2-6-10-16/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2
InChIKeyCKPSELGPBQPKTR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.03
Rot. Bonds4

About 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone

2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 43340159) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
PubChem CID43340159
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone
SMILESO=C(CC1CCCCC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H20N2O/c20-17(11-14-7-3-1-4-8-14)15-12-18-19(13-15)16-9-5-2-6-10-16/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2
InChIKeyCKPSELGPBQPKTR-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

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2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
CID 111459881
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone (CID 43340159) is 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone is O=C(CC1CCCCC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is CKPSELGPBQPKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(11-14-7-3-1-4-8-14)15-12-18-19(13-15)16-9-5-2-6-10-16/h2,5-6,9-10,12-14H,1,3-4,7-8,11H2.
What are the key properties of 2-cyclohexyl-1-(1-phenylpyrazol-4-yl)ethanone?
2-cyclohexyl-1-(1-phenylpyrazol-4-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-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 43340159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).