1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one

C16H26N2O2 — CID 116751208

IUPAC1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCOC(C(=O)Cc1cnn(CC)c1)C1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-3-18-12-13(11-17-18)10-15(19)16(20-4-2)14-8-6-5-7-9-14/h11-12,14,16H,3-10H2,1-2H3
InChIKeyLUNXUHQRLJOHRE-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.00
Rot. Bonds7

About 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one

1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one (PubChem CID 116751208) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
PubChem CID116751208
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
SMILESCCOC(C(=O)Cc1cnn(CC)c1)C1CCCCC1
InChIInChI=1S/C16H26N2O2/c1-3-18-12-13(11-17-18)10-15(19)16(20-4-2)14-8-6-5-7-9-14/h11-12,14,16H,3-10H2,1-2H3
InChIKeyLUNXUHQRLJOHRE-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239
2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423313
1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
CID 116751307
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
2-(1-ethylpyrazol-4-yl)-1-(thian-2-yl)ethanone
CID 80623009
(1S)-1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81393534
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116709353
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one (CID 116751208) is 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one is CCOC(C(=O)Cc1cnn(CC)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one?
The InChIKey is LUNXUHQRLJOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-18-12-13(11-17-18)10-15(19)16(20-4-2)14-8-6-5-7-9-14/h11-12,14,16H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one?
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one has a molecular weight of 278.40 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 116751208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).