methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate

C20H19N3O4 — CID 110336415

IUPACmethyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)n(C)n1
InChIInChI=1S/C20H19N3O4/c1-23-18(13-7-6-8-14(11-13)26-2)12-17(22-23)19(24)21-16-10-5-4-9-15(16)20(25)27-3/h4-12H,1-3H3,(H,21,24)
InChIKeyHGNGOVMCSVXWGD-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.13
Rot. Bonds5

About methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate

methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate (PubChem CID 110336415) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
PubChem CID110336415
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)n(C)n1
InChIInChI=1S/C20H19N3O4/c1-23-18(13-7-6-8-14(11-13)26-2)12-17(22-23)19(24)21-16-10-5-4-9-15(16)20(25)27-3/h4-12H,1-3H3,(H,21,24)
InChIKeyHGNGOVMCSVXWGD-UHFFFAOYSA-N
XLogP3.13
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-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

N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336427
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
5-(3,4-dimethylphenyl)-1-methyl-N-[2-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 110615690
5-(3-methoxyphenyl)-N,1-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110336399
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate (CID 110336415) is methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)n(C)n1.
What is the InChIKey of methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
The InChIKey is HGNGOVMCSVXWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-23-18(13-7-6-8-14(11-13)26-2)12-17(22-23)19(24)21-16-10-5-4-9-15(16)20(25)27-3/h4-12H,1-3H3,(H,21,24).
What are the key properties of methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 110336415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).