N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide

C8H11N3O2 — CID 66485156

IUPACN-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(C)c1C(C)=O
InChIInChI=1S/C8H11N3O2/c1-4-7(5(2)12)8(11-10-4)9-6(3)13/h1-3H3,(H2,9,10,11,13)
InChIKeyDGNUDHFJAOVMAP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.88
Rot. Bonds2

About N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide

N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 66485156) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID66485156
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCC(=O)Nc1n[nH]c(C)c1C(C)=O
InChIInChI=1S/C8H11N3O2/c1-4-7(5(2)12)8(11-10-4)9-6(3)13/h1-3H3,(H2,9,10,11,13)
InChIKeyDGNUDHFJAOVMAP-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide (CID 66485156) is N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide is CC(=O)Nc1n[nH]c(C)c1C(C)=O.
What is the InChIKey of N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is DGNUDHFJAOVMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-7(5(2)12)8(11-10-4)9-6(3)13/h1-3H3,(H2,9,10,11,13).
What are the key properties of N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide?
N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 66485156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).