2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide

C13H15N3O — CID 166474091

IUPAC2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
SMILESCc1cn(CC(=O)Nc2ccccc2)nc1C
InChIInChI=1S/C13H15N3O/c1-10-8-16(15-11(10)2)9-13(17)14-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,14,17)
InChIKeyXBUMTQUSDRQDSR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds3

About 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide

2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide (PubChem CID 166474091) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
PubChem CID166474091
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide
SMILESCc1cn(CC(=O)Nc2ccccc2)nc1C
InChIInChI=1S/C13H15N3O/c1-10-8-16(15-11(10)2)9-13(17)14-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,14,17)
InChIKeyXBUMTQUSDRQDSR-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(tetrazol-1-yl)acetamide
CID 24977364
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
4-amino-1-[2-(2-methylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344223
2-[3-(1-aminoethyl)-1,2,4-triazol-1-yl]-N-phenylacetamide
CID 105359732
2-(4-bromo-3-methylpyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 19517134
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
2-(2-methyl-4-nitroimidazol-1-yl)-N-phenylacetamide
CID 42644444
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
2-(5-ethyl-7-methyl-4-oxopyrazolo[4,5-d]triazin-3-yl)-N-phenylacetamide
CID 75537822
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromo-3-methylpyrazol-1-yl)acetamide
CID 19517285

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide (CID 166474091) is 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide is Cc1cn(CC(=O)Nc2ccccc2)nc1C.
What is the InChIKey of 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide?
The InChIKey is XBUMTQUSDRQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-8-16(15-11(10)2)9-13(17)14-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,14,17).
What are the key properties of 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide?
2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide has a molecular weight of 229.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 166474091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).