[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

C23H22N4O4 — CID 55366169

IUPAC[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
SMILESCc1ccc(-n2nc(C)cc2NC(=O)COC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H22N4O4/c1-15-4-8-19(9-5-15)27-21(12-16(2)26-27)25-22(28)14-30-23(29)17(3)31-20-10-6-18(13-24)7-11-20/h4-12,17H,14H2,1-3H3,(H,25,28)
InChIKeyZGHAKDYHKOGSSJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.31
Rot. Bonds7

About [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate (PubChem CID 55366169) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
PubChem CID55366169
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
SMILESCc1ccc(-n2nc(C)cc2NC(=O)COC(=O)C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C23H22N4O4/c1-15-4-8-19(9-5-15)27-21(12-16(2)26-27)25-22(28)14-30-23(29)17(3)31-20-10-6-18(13-24)7-11-20/h4-12,17H,14H2,1-3H3,(H,25,28)
InChIKeyZGHAKDYHKOGSSJ-UHFFFAOYSA-N
XLogP3.31
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate with MolForge

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 55479906
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 55925781
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983615
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55999227
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210494
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7762118
[2-oxo-2-(4-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977850
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983681
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8510608
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983654
[2-(4-ethylanilino)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984171

Frequently Asked Questions

What is the IUPAC name of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
The IUPAC name of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate (CID 55366169) is [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate is Cc1ccc(-n2nc(C)cc2NC(=O)COC(=O)C(C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
The InChIKey is ZGHAKDYHKOGSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-15-4-8-19(9-5-15)27-21(12-16(2)26-27)25-22(28)14-30-23(29)17(3)31-20-10-6-18(13-24)7-11-20/h4-12,17H,14H2,1-3H3,(H,25,28).
What are the key properties of [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate?
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate has a molecular weight of 418.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 55366169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).