[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate

C24H27N3O3 — CID 7890368

IUPAC[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
SMILESCCCC(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-5-9-24(29)30-15-23(28)25-22-14-21(20-13-17(3)16(2)12-18(20)4)26-27(22)19-10-7-6-8-11-19/h6-8,10-14H,5,9,15H2,1-4H3,(H,25,28)
InChIKeyDDELIAGVFAFNNM-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.75
Rot. Bonds7

About [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate

[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate (PubChem CID 7890368) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate.

Molecular Properties

Compound Name[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
PubChem CID7890368
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
SMILESCCCC(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1
InChIInChI=1S/C24H27N3O3/c1-5-9-24(29)30-15-23(28)25-22-14-21(20-13-17(3)16(2)12-18(20)4)26-27(22)19-10-7-6-8-11-19/h6-8,10-14H,5,9,15H2,1-4H3,(H,25,28)
InChIKeyDDELIAGVFAFNNM-UHFFFAOYSA-N
XLogP4.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2394322
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] 4-(hydroxymethyl)benzoate
CID 3330944
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] butanoate
CID 7796847
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 39903279
2-(4-hydroxypiperidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 18196319
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 2530718
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841934
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-phenoxypropanoate
CID 24570195
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4781966
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33358668
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate?
The IUPAC name of [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate (CID 7890368) is [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate.
What is the SMILES notation for [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate?
The canonical SMILES for [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate is CCCC(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1.
What is the InChIKey of [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate?
The InChIKey is DDELIAGVFAFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-5-9-24(29)30-15-23(28)25-22-14-21(20-13-17(3)16(2)12-18(20)4)26-27(22)19-10-7-6-8-11-19/h6-8,10-14H,5,9,15H2,1-4H3,(H,25,28).
What are the key properties of [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate?
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate has a molecular weight of 405.50 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate is sourced from PubChem (CID 7890368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).