2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide

C19H19N3O3 — CID 141484724

IUPAC2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(-c3ccccc3)c2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-9-8-14(10-18(17)25-2)11-19(23)21-15-12-20-22(13-15)16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKeyGRZOZFOBRYJVLK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.07
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 141484724) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
PubChem CID141484724
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(-c3ccccc3)c2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-17-9-8-14(10-18(17)25-2)11-19(23)21-15-12-20-22(13-15)16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3,(H,21,23)
InChIKeyGRZOZFOBRYJVLK-UHFFFAOYSA-N
XLogP3.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide (CID 141484724) is 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide is COc1ccc(CC(=O)Nc2cnn(-c3ccccc3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is GRZOZFOBRYJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-17-9-8-14(10-18(17)25-2)11-19(23)21-15-12-20-22(13-15)16-6-4-3-5-7-16/h3-10,12-13H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 3.07, 6 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-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 141484724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).