[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate

C22H23N3O4 — CID 7806845

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C
InChIInChI=1S/C22H23N3O4/c1-16-8-6-7-11-18(16)21-19(14-25(24-21)17-9-4-3-5-10-17)22(27)29-15-20(26)23-12-13-28-2/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyIUUGERPYOLIDNV-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.77
Rot. Bonds8

About [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate

[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 7806845) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID7806845
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C
InChIInChI=1S/C22H23N3O4/c1-16-8-6-7-11-18(16)21-19(14-25(24-21)17-9-4-3-5-10-17)22(27)29-15-20(26)23-12-13-28-2/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyIUUGERPYOLIDNV-UHFFFAOYSA-N
XLogP2.77
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(3-methoxypropylamino)-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820496
[2-(2-cyanoethylamino)-2-oxoethyl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684964
3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
[2-oxo-2-(propylamino)ethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796835
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 31155703
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
(5-methyl-1,2-oxazol-3-yl)methyl 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8955375
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 42978930
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate (CID 7806845) is [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate is COCCNC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is IUUGERPYOLIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-16-8-6-7-11-18(16)21-19(14-25(24-21)17-9-4-3-5-10-17)22(27)29-15-20(26)23-12-13-28-2/h3-11,14H,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3-(2-methylphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 7806845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).