3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide

C18H17N3O5 — CID 136704284

IUPAC3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCONC(=O)c1cn(-c2ccc(OC)cc2)nc1-c1ccc(O)c(O)c1
InChIInChI=1S/C18H17N3O5/c1-25-13-6-4-12(5-7-13)21-10-14(18(24)20-26-2)17(19-21)11-3-8-15(22)16(23)9-11/h3-10,22-23H,1-2H3,(H,20,24)
InChIKeyZMEYRYGUTALZSM-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.25
Rot. Bonds5

About 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide

3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 136704284) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID136704284
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCONC(=O)c1cn(-c2ccc(OC)cc2)nc1-c1ccc(O)c(O)c1
InChIInChI=1S/C18H17N3O5/c1-25-13-6-4-12(5-7-13)21-10-14(18(24)20-26-2)17(19-21)11-3-8-15(22)16(23)9-11/h3-10,22-23H,1-2H3,(H,20,24)
InChIKeyZMEYRYGUTALZSM-UHFFFAOYSA-N
XLogP2.25
TPSA105.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 48575279
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55669333
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154275
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
CID 43016731
1-(4-bromophenyl)-3-(4-hydroxy-3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 155816499
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 136704284) is 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide is CONC(=O)c1cn(-c2ccc(OC)cc2)nc1-c1ccc(O)c(O)c1.
What is the InChIKey of 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is ZMEYRYGUTALZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-13-6-4-12(5-7-13)21-10-14(18(24)20-26-2)17(19-21)11-3-8-15(22)16(23)9-11/h3-10,22-23H,1-2H3,(H,20,24).
What are the key properties of 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxyphenyl)-N-methoxy-1-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136704284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).