methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate

C20H19N3O4 — CID 154693099

IUPACmethyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cc3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C20H19N3O4/c1-26-17-9-3-13(4-10-17)11-16-12-18(23-22-16)19(24)21-15-7-5-14(6-8-15)20(25)27-2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWHXNKNQDSPLILK-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.05
Rot. Bonds6

About methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate

methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate (PubChem CID 154693099) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate
PubChem CID154693099
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(Cc3ccc(OC)cc3)[nH]n2)cc1
InChIInChI=1S/C20H19N3O4/c1-26-17-9-3-13(4-10-17)11-16-12-18(23-22-16)19(24)21-15-7-5-14(6-8-15)20(25)27-2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWHXNKNQDSPLILK-UHFFFAOYSA-N
XLogP3.05
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate (CID 154693099) is methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(Cc3ccc(OC)cc3)[nH]n2)cc1.
What is the InChIKey of methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate?
The InChIKey is WHXNKNQDSPLILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-17-9-3-13(4-10-17)11-16-12-18(23-22-16)19(24)21-15-7-5-14(6-8-15)20(25)27-2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate?
methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carbonyl]amino]benzoate is sourced from PubChem (CID 154693099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).