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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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
1-(4-Methoxyphenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester
CID 656965
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
3-tert-butyl-N-(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 5174948
N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
Cfm-1571
CID 9844347

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).