2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide

C7H11N3O2 — CID 126996074

IUPAC2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide
SMILESCC1=NN(C)C(=O)C1CC(N)=O
InChIInChI=1S/C7H11N3O2/c1-4-5(3-6(8)11)7(12)10(2)9-4/h5H,3H2,1-2H3,(H2,8,11)
InChIKeyLSQKWCYNUCBEDB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.67
Rot. Bonds2

About 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide

2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide (PubChem CID 126996074) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide
PubChem CID126996074
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide
SMILESCC1=NN(C)C(=O)C1CC(N)=O
InChIInChI=1S/C7H11N3O2/c1-4-5(3-6(8)11)7(12)10(2)9-4/h5H,3H2,1-2H3,(H2,8,11)
InChIKeyLSQKWCYNUCBEDB-UHFFFAOYSA-N
XLogP-0.67
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide (CID 126996074) is 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide is CC1=NN(C)C(=O)C1CC(N)=O.
What is the InChIKey of 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide?
The InChIKey is LSQKWCYNUCBEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-5(3-6(8)11)7(12)10(2)9-4/h5H,3H2,1-2H3,(H2,8,11).
What are the key properties of 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide?
2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide has a molecular weight of 169.18 g/mol, XLogP of -0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-5-oxo-4H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 126996074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).