ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate

C20H19N3O4 — CID 135675399

IUPACethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H19N3O4/c1-3-27-20(26)13-7-9-14(10-8-13)21-19(25)17-11-16(22-23-17)15-6-4-5-12(2)18(15)24/h4-11,24H,3H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyRGZUGKAVNBYWAQ-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.52
Rot. Bonds5

About ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate

ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate (PubChem CID 135675399) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
PubChem CID135675399
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Nameethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3O)n[nH]2)cc1
InChIInChI=1S/C20H19N3O4/c1-3-27-20(26)13-7-9-14(10-8-13)21-19(25)17-11-16(22-23-17)15-6-4-5-12(2)18(15)24/h4-11,24H,3H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyRGZUGKAVNBYWAQ-UHFFFAOYSA-N
XLogP3.52
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate 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

3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
N-(4-acetamidophenyl)-3-(2-hydroxy-3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 2036050
butyl 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 46920237
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[(4-amino-3-methylbenzoyl)amino]benzoate
CID 28748768
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate (CID 135675399) is ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(C)c3O)n[nH]2)cc1.
What is the InChIKey of ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
The InChIKey is RGZUGKAVNBYWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-27-20(26)13-7-9-14(10-8-13)21-19(25)17-11-16(22-23-17)15-6-4-5-12(2)18(15)24/h4-11,24H,3H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate?
ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-hydroxy-3-methylphenyl)-1H-pyrazole-5-carbonyl]amino]benzoate is sourced from PubChem (CID 135675399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).