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

C14H17N3O — CID 646504

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H17N3O/c1-10-4-6-13(7-5-10)15-14(18)9-17-12(3)8-11(2)16-17/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyVFTASNNRFPYDCQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds3

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

2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 646504) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID646504
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H17N3O/c1-10-4-6-13(7-5-10)15-14(18)9-17-12(3)8-11(2)16-17/h4-8H,9H2,1-3H3,(H,15,18)
InChIKeyVFTASNNRFPYDCQ-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide (CID 646504) is 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is VFTASNNRFPYDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-6-13(7-5-10)15-14(18)9-17-12(3)8-11(2)16-17/h4-8H,9H2,1-3H3,(H,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 646504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).