2-(4-acetyl-3-methylpyrazol-1-yl)acetamide

C8H11N3O2 — CID 127013195

IUPAC2-(4-acetyl-3-methylpyrazol-1-yl)acetamide
SMILESCC(=O)c1cn(CC(N)=O)nc1C
InChIInChI=1S/C8H11N3O2/c1-5-7(6(2)12)3-11(10-5)4-8(9)13/h3H,4H2,1-2H3,(H2,9,13)
InChIKeyDSAARDWHWXDZBC-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.12
Rot. Bonds3

About 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide

2-(4-acetyl-3-methylpyrazol-1-yl)acetamide (PubChem CID 127013195) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3-methylpyrazol-1-yl)acetamide
PubChem CID127013195
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(4-acetyl-3-methylpyrazol-1-yl)acetamide
SMILESCC(=O)c1cn(CC(N)=O)nc1C
InChIInChI=1S/C8H11N3O2/c1-5-7(6(2)12)3-11(10-5)4-8(9)13/h3H,4H2,1-2H3,(H2,9,13)
InChIKeyDSAARDWHWXDZBC-UHFFFAOYSA-N
XLogP-0.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide?
The IUPAC name of 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide (CID 127013195) is 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide is CC(=O)c1cn(CC(N)=O)nc1C.
What is the InChIKey of 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide?
The InChIKey is DSAARDWHWXDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-7(6(2)12)3-11(10-5)4-8(9)13/h3H,4H2,1-2H3,(H2,9,13).
What are the key properties of 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide?
2-(4-acetyl-3-methylpyrazol-1-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 127013195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).