2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone

C16H26N2O — CID 65423313

IUPAC2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCCn1cc(CC(=O)C2CCC(C(C)C)CC2)cn1
InChIInChI=1S/C16H26N2O/c1-4-18-11-13(10-17-18)9-16(19)15-7-5-14(6-8-15)12(2)3/h10-12,14-15H,4-9H2,1-3H3
InChIKeyYMVPIIWBWKRMEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.48
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone

2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 65423313) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID65423313
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCCn1cc(CC(=O)C2CCC(C(C)C)CC2)cn1
InChIInChI=1S/C16H26N2O/c1-4-18-11-13(10-17-18)9-16(19)15-7-5-14(6-8-15)12(2)3/h10-12,14-15H,4-9H2,1-3H3
InChIKeyYMVPIIWBWKRMEC-UHFFFAOYSA-N
XLogP3.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 65401293
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-(1-ethylpyrazol-4-yl)-1-(thian-2-yl)ethanone
CID 80623009
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116751208
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
2-(1-methylpyrazol-4-yl)-1-(4-propylcyclohexyl)ethanone
CID 65423483
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone (CID 65423313) is 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone is CCn1cc(CC(=O)C2CCC(C(C)C)CC2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is YMVPIIWBWKRMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18-11-13(10-17-18)9-16(19)15-7-5-14(6-8-15)12(2)3/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 65423313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).