[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate

C16H19N3O4 — CID 7701427

IUPAC[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c1O
InChIInChI=1S/C16H19N3O4/c1-9-6-5-7-12(15(9)21)16(22)23-8-13(20)17-14-10(2)18-19(4)11(14)3/h5-7,21H,8H2,1-4H3,(H,17,20)
InChIKeyUGJMYCIPVFXYBP-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.85
Rot. Bonds4

About [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 7701427) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate
PubChem CID7701427
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c1O
InChIInChI=1S/C16H19N3O4/c1-9-6-5-7-12(15(9)21)16(22)23-8-13(20)17-14-10(2)18-19(4)11(14)3/h5-7,21H,8H2,1-4H3,(H,17,20)
InChIKeyUGJMYCIPVFXYBP-UHFFFAOYSA-N
XLogP1.85
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate
CID 18198826
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-hydroxy-3-methylbenzoate
CID 8653060
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-acetylthiophene-2-carboxylate
CID 18123295
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-naphthalen-1-ylacetate
CID 9412783
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(methoxymethyl)benzoate
CID 8923514
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7715367
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
[2-(4-acetylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578372
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate (CID 7701427) is [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c1O.
What is the InChIKey of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is UGJMYCIPVFXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-6-5-7-12(15(9)21)16(22)23-8-13(20)17-14-10(2)18-19(4)11(14)3/h5-7,21H,8H2,1-4H3,(H,17,20).
What are the key properties of [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate?
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 317.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 7701427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).