ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate

C20H20N4O3 — CID 15944198

IUPACethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccn2)c1CC
InChIInChI=1S/C20H20N4O3/c1-3-17-15(13-22-24(17)18-11-7-8-12-21-18)19(25)23-16-10-6-5-9-14(16)20(26)27-4-2/h5-13H,3-4H2,1-2H3,(H,23,25)
InChIKeyOVNFFNVTTKWHNG-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate

ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 15944198) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
PubChem CID15944198
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccn2)c1CC
InChIInChI=1S/C20H20N4O3/c1-3-17-15(13-22-24(17)18-11-7-8-12-21-18)19(25)23-16-10-6-5-9-14(16)20(26)27-4-2/h5-13H,3-4H2,1-2H3,(H,23,25)
InChIKeyOVNFFNVTTKWHNG-UHFFFAOYSA-N
XLogP3.26
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-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

5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717
ethyl 2-[2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 39048048
5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 78867900
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648975
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate (CID 15944198) is ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cnn(-c2ccccn2)c1CC.
What is the InChIKey of ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is OVNFFNVTTKWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-17-15(13-22-24(17)18-11-7-8-12-21-18)19(25)23-16-10-6-5-9-14(16)20(26)27-4-2/h5-13H,3-4H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate?
ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 364.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 15944198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).