2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

C19H19N3O4 — CID 17341526

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-25-15-9-8-13(10-16(15)26-2)11-18(23)20-17-12-19(24)22(21-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,23)
InChIKeyWGIUFZLDACJSGD-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.11
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (PubChem CID 17341526) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
PubChem CID17341526
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESCOc1ccc(CC(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1OC
InChIInChI=1S/C19H19N3O4/c1-25-15-9-8-13(10-16(15)26-2)11-18(23)20-17-12-19(24)22(21-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,23)
InChIKeyWGIUFZLDACJSGD-UHFFFAOYSA-N
XLogP2.11
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 17341539
2-[(4-methylphenyl)methylsulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341604
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18196785
2-(3,4-dimethoxyphenyl)-N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]acetamide
CID 3940794
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
2-(3,4-dimethoxyphenyl)-N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 4622423
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
N-(3-tert-butyl-4-methyl-1-phenylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 86897810
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (CID 17341526) is 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is COc1ccc(CC(=O)NC2=NN(c3ccccc3)C(=O)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The InChIKey is WGIUFZLDACJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-15-9-8-13(10-16(15)26-2)11-18(23)20-17-12-19(24)22(21-17)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 17341526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).