1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone

C17H28N2O — CID 65401293

IUPAC1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H28N2O/c1-5-19-12-13(11-18-19)10-16(20)14-6-8-15(9-7-14)17(2,3)4/h11-12,14-15H,5-10H2,1-4H3
InChIKeyCSTYUNNSZCLJGD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone

1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 65401293) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID65401293
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C17H28N2O/c1-5-19-12-13(11-18-19)10-16(20)14-6-8-15(9-7-14)17(2,3)4/h11-12,14-15H,5-10H2,1-4H3
InChIKeyCSTYUNNSZCLJGD-UHFFFAOYSA-N
XLogP3.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423313
4-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-ol
CID 62126069
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-(1-ethylpyrazol-4-yl)-1-(thian-2-yl)ethanone
CID 80623009
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
1-[5-(aminomethyl)oxolan-2-yl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116589294
1-cyclopentyl-2-(1-methylpyrazol-4-yl)ethanone
CID 62127487
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744289
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 65401293) is 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)C2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is CSTYUNNSZCLJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19-12-13(11-18-19)10-16(20)14-6-8-15(9-7-14)17(2,3)4/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 65401293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).