[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C23H25N3O4 — CID 24981893

IUPAC[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(O)c1
InChIInChI=1S/C23H25N3O4/c1-15-10-11-17(18(27)12-15)22(29)30-14-21(28)24-20-13-19(23(2,3)4)25-26(20)16-8-6-5-7-9-16/h5-13,27H,14H2,1-4H3,(H,24,28)
InChIKeyRNEJLAGKCZCCSS-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.98
Rot. Bonds5

About [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 24981893) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID24981893
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(O)c1
InChIInChI=1S/C23H25N3O4/c1-15-10-11-17(18(27)12-15)22(29)30-14-21(28)24-20-13-19(23(2,3)4)25-26(20)16-8-6-5-7-9-16/h5-13,27H,14H2,1-4H3,(H,24,28)
InChIKeyRNEJLAGKCZCCSS-UHFFFAOYSA-N
XLogP3.98
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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] 2-hydroxybenzoate
CID 4802738
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7500946
[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-Oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl] 4-(hydroxymethyl)benzoate
CID 3330944
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7568300
[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
N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 2381382
[2-[(3-Cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 37324441

Frequently Asked Questions

What is the IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 24981893) is [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(O)c1.
What is the InChIKey of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is RNEJLAGKCZCCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-10-11-17(18(27)12-15)22(29)30-14-21(28)24-20-13-19(23(2,3)4)25-26(20)16-8-6-5-7-9-16/h5-13,27H,14H2,1-4H3,(H,24,28).
What are the key properties of [2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 407.47 g/mol, XLogP of 3.98, 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-hydroxy-4-methylbenzoate is sourced from PubChem (CID 24981893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).