2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide

C16H19N3O3 — CID 15943482

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C16H19N3O3/c1-10-16(12(3)20)11(2)19(18-10)9-15(21)17-13-5-7-14(22-4)8-6-13/h5-8H,9H2,1-4H3,(H,17,21)
InChIKeyFVBFNHBOJYGWBD-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 15943482) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID15943482
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C16H19N3O3/c1-10-16(12(3)20)11(2)19(18-10)9-15(21)17-13-5-7-14(22-4)8-6-13/h5-8H,9H2,1-4H3,(H,17,21)
InChIKeyFVBFNHBOJYGWBD-UHFFFAOYSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 15943482) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is FVBFNHBOJYGWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-16(12(3)20)11(2)19(18-10)9-15(21)17-13-5-7-14(22-4)8-6-13/h5-8H,9H2,1-4H3,(H,17,21).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 15943482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).