[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate

C21H23N3O3 — CID 55702048

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccc(N3CCC(C)=N3)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-3-16-5-4-6-18(13-16)22-20(25)14-27-21(26)17-7-9-19(10-8-17)24-12-11-15(2)23-24/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)
InChIKeyMOAWCVAJWMQPLS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.63
Rot. Bonds6

About [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate

[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate (PubChem CID 55702048) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
PubChem CID55702048
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
SMILESCCc1cccc(NC(=O)COC(=O)c2ccc(N3CCC(C)=N3)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-3-16-5-4-6-18(13-16)22-20(25)14-27-21(26)17-7-9-19(10-8-17)24-12-11-15(2)23-24/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25)
InChIKeyMOAWCVAJWMQPLS-UHFFFAOYSA-N
XLogP3.63
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate with MolForge

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55999950
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998740
[2-(3-ethylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204046
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998208
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998475
[2-(3-ethylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7501317
[1-(3-methylanilino)-1-oxopropan-2-yl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998341
[2-(3-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204319
[2-(3-ethylanilino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625845
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998873
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
[2-(3-ethylanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8967009

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate (CID 55702048) is [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate is CCc1cccc(NC(=O)COC(=O)c2ccc(N3CCC(C)=N3)cc2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate?
The InChIKey is MOAWCVAJWMQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-16-5-4-6-18(13-16)22-20(25)14-27-21(26)17-7-9-19(10-8-17)24-12-11-15(2)23-24/h4-10,13H,3,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate?
[2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate has a molecular weight of 365.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate is sourced from PubChem (CID 55702048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).