[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

C22H28N2O3 — CID 55506269

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C22H28N2O3/c1-16-14-17(2)24(23-16)13-12-22(26)27-15-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15H2,1-2H3
InChIKeyGEPFATHOEBWGOC-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.36
Rot. Bonds7

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 55506269) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID55506269
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C22H28N2O3/c1-16-14-17(2)24(23-16)13-12-22(26)27-15-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15H2,1-2H3
InChIKeyGEPFATHOEBWGOC-UHFFFAOYSA-N
XLogP4.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7350831
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidopropanoate
CID 7197417
[2-(4-cyclohexylphenyl)-2-oxoethyl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 24579450
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55505462
4-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6066141
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 30237813
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18230047
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 55506189
[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55561936
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 23931842
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 4210675
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 23735027

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 55506269) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate is Cc1cc(C)n(CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is GEPFATHOEBWGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-14-17(2)24(23-16)13-12-22(26)27-15-21(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15H2,1-2H3.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 368.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 55506269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).