[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate

C17H21N3O4 — CID 7699065

IUPAC[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H21N3O4/c1-11-17(12(2)20(3)19-11)18-15(21)10-24-16(22)9-13-5-7-14(23-4)8-6-13/h5-8H,9-10H2,1-4H3,(H,18,21)
InChIKeyMWYGSFWRPKKWOR-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.77
Rot. Bonds6

About [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 7699065) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
PubChem CID7699065
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C17H21N3O4/c1-11-17(12(2)20(3)19-11)18-15(21)10-24-16(22)9-13-5-7-14(23-4)8-6-13/h5-8H,9-10H2,1-4H3,(H,18,21)
InChIKeyMWYGSFWRPKKWOR-UHFFFAOYSA-N
XLogP1.77
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556286
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556336
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-naphthalen-1-ylacetate
CID 9412783
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-thiophen-2-ylacetate
CID 7696466
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 90786427
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 8520676
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2128296
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7698746
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate (CID 7699065) is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is MWYGSFWRPKKWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-17(12(2)20(3)19-11)18-15(21)10-24-16(22)9-13-5-7-14(23-4)8-6-13/h5-8H,9-10H2,1-4H3,(H,18,21).
What are the key properties of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate?
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 331.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7699065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).