[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate

C22H23N3O4 — CID 4802738

IUPAC[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O4/c1-22(2,3)18-13-19(25(24-18)15-9-5-4-6-10-15)23-20(27)14-29-21(28)16-11-7-8-12-17(16)26/h4-13,26H,14H2,1-3H3,(H,23,27)
InChIKeySOCCJNJDTAEGOG-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.67
Rot. Bonds5

About [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate

[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 4802738) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
PubChem CID4802738
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate
SMILESCC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2O)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N3O4/c1-22(2,3)18-13-19(25(24-18)15-9-5-4-6-10-15)23-20(27)14-29-21(28)16-11-7-8-12-17(16)26/h4-13,26H,14H2,1-3H3,(H,23,27)
InChIKeySOCCJNJDTAEGOG-UHFFFAOYSA-N
XLogP3.67
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 4802531
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4802711
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500946
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 24981893
[2-[(5-Methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 24982767
[2-Oxo-2-[(2-phenyl-5-propylpyrazol-3-yl)amino]ethyl] 2,4-dihydroxybenzoate
CID 8899939
Salicylamide, N-(3-methyl-1-phenyl-5-pyrazolyl)-
CID 355582
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 8815361
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568300
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870784
[2-[(1,3-Diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 16285146
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] benzoate
CID 4803443

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate (CID 4802738) is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate is CC(C)(C)c1cc(NC(=O)COC(=O)c2ccccc2O)n(-c2ccccc2)n1.
What is the InChIKey of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is SOCCJNJDTAEGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-22(2,3)18-13-19(25(24-18)15-9-5-4-6-10-15)23-20(27)14-29-21(28)16-11-7-8-12-17(16)26/h4-13,26H,14H2,1-3H3,(H,23,27).
What are the key properties of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate?
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 393.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 4802738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).