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

C22H23N3O4 — CID 24982767

IUPAC[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-16-14-20(25(24-16)18-9-4-3-5-10-18)23-21(26)15-29-22(27)13-12-17-8-6-7-11-19(17)28-2/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyJJKGUUDAEDAVFH-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.30
Rot. Bonds8

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

[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 24982767) 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-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID24982767
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-16-14-20(25(24-16)18-9-4-3-5-10-18)23-21(26)15-29-22(27)13-12-17-8-6-7-11-19(17)28-2/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyJJKGUUDAEDAVFH-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 24982767) is [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)Nc1cc(C)nn1-c1ccccc1.
What is the InChIKey of [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is JJKGUUDAEDAVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-16-14-20(25(24-16)18-9-4-3-5-10-18)23-21(26)15-29-22(27)13-12-17-8-6-7-11-19(17)28-2/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-methoxyphenyl)propanoate?
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 393.44 g/mol, XLogP of 3.30, 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-methoxyphenyl)propanoate is sourced from PubChem (CID 24982767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).