[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C22H23N3O4 — CID 7841934

IUPAC[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1cc(NC(=O)COC(=O)CCOc2ccccc2C)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O4/c1-16-8-6-7-11-19(16)28-13-12-22(27)29-15-21(26)23-20-14-17(2)24-25(20)18-9-4-3-5-10-18/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyOQWUGMAIYQJSQJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.44
Rot. Bonds8

About [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 7841934) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID7841934
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1cc(NC(=O)COC(=O)CCOc2ccccc2C)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O4/c1-16-8-6-7-11-19(16)28-13-12-22(27)29-15-21(26)23-20-14-17(2)24-25(20)18-9-4-3-5-10-18/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyOQWUGMAIYQJSQJ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-phenoxypropanoate
CID 24570195
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841671
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 41285441
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
3-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112816929
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 9451889
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18279717
[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl] butanoate
CID 7890368
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 7841934) is [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1cc(NC(=O)COC(=O)CCOc2ccccc2C)n(-c2ccccc2)n1.
What is the InChIKey of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is OQWUGMAIYQJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-16-8-6-7-11-19(16)28-13-12-22(27)29-15-21(26)23-20-14-17(2)24-25(20)18-9-4-3-5-10-18/h3-11,14H,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 393.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 7841934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).