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

C15H17N3O2 — CID 747498

IUPACN-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-10-8-11(2)18(17-10)9-15(20)16-14-6-4-13(5-7-14)12(3)19/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyGDTDPUNICGRGKL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.34
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 747498) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID747498
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-10-8-11(2)18(17-10)9-15(20)16-14-6-4-13(5-7-14)12(3)19/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyGDTDPUNICGRGKL-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 747498) is N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is GDTDPUNICGRGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-11(2)18(17-10)9-15(20)16-14-6-4-13(5-7-14)12(3)19/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 747498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).