ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate

C21H21N3O4 — CID 110336423

IUPACethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n(C)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-4-28-21(26)14-8-10-16(11-9-14)22-20(25)18-13-19(24(2)23-18)15-6-5-7-17(12-15)27-3/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyPGBOKCWTJDEBQE-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.52
Rot. Bonds6

About ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate

ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate (PubChem CID 110336423) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
PubChem CID110336423
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Nameethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n(C)n2)cc1
InChIInChI=1S/C21H21N3O4/c1-4-28-21(26)14-8-10-16(11-9-14)22-20(25)18-13-19(24(2)23-18)15-6-5-7-17(12-15)27-3/h5-13H,4H2,1-3H3,(H,22,25)
InChIKeyPGBOKCWTJDEBQE-UHFFFAOYSA-N
XLogP3.52
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336415
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
ethyl 4-[[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]amino]benzoate
CID 20963655
N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336427
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate (CID 110336423) is ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)n(C)n2)cc1.
What is the InChIKey of ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
The InChIKey is PGBOKCWTJDEBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-4-28-21(26)14-8-10-16(11-9-14)22-20(25)18-13-19(24(2)23-18)15-6-5-7-17(12-15)27-3/h5-13H,4H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate?
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 110336423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).