2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C8H11N3O2 — CID 7131333

IUPAC2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(N)=O
InChIInChI=1S/C8H11N3O2/c1-4-6(7(12)8(9)13)5(2)11(3)10-4/h1-3H3,(H2,9,13)
InChIKeyKFCYMPYODRSZAU-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.30
Rot. Bonds2

About 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 7131333) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID7131333
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(N)=O
InChIInChI=1S/C8H11N3O2/c1-4-6(7(12)8(9)13)5(2)11(3)10-4/h1-3H3,(H2,9,13)
InChIKeyKFCYMPYODRSZAU-UHFFFAOYSA-N
XLogP-0.30
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)acetamide
CID 41031989
1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 136903
1,3,5-trimethyl-1H-pyrazole-4-carbohydrazide
CID 1472343
4-amino-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 13822925
2,2,2-trifluoro-1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 54593392
1-(trimethyl-1H-pyrazol-4-yl)propan-1-one
CID 793095
1-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]ethan-1-one
CID 23005702
1-[(3S)-3-methylpiperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethane-1,2-dione
CID 40077107
N-cycloheptyl-N-methyl-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 40091831
N-cyclopentyl-N-cyclopropyl-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 53522514
1-(Difluoromethyl)-3,5-dimethylpyrazole-4-carboxamide
CID 4773813
4-acetyl-1,5-dimethyl-3-trifluoromethyl-1H-pyrazole
CID 11858719

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 7131333) is 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(N)=O.
What is the InChIKey of 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is KFCYMPYODRSZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6(7(12)8(9)13)5(2)11(3)10-4/h1-3H3,(H2,9,13).
What are the key properties of 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 7131333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).