[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate

C22H23N3O3 — CID 24816700

IUPAC[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16-22(17(2)25(24-16)19-11-7-4-8-12-19)23-20(26)15-28-21(27)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,23,26)
InChIKeyGYARNZSUMYSHRR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.60
Rot. Bonds7

About [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate

[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 24816700) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID24816700
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1ccccc1
InChIInChI=1S/C22H23N3O3/c1-16-22(17(2)25(24-16)19-11-7-4-8-12-19)23-20(26)15-28-21(27)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,23,26)
InChIKeyGYARNZSUMYSHRR-UHFFFAOYSA-N
XLogP3.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate (CID 24816700) is [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CCc1ccccc1.
What is the InChIKey of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is GYARNZSUMYSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-22(17(2)25(24-16)19-11-7-4-8-12-19)23-20(26)15-28-21(27)14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,23,26).
What are the key properties of [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate?
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 377.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 24816700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).