2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide

C7H9N3O2 — CID 91099037

IUPAC2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
SMILESCC(C(N)=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C7H9N3O2/c1-4(7(8)12)6(11)5-2-9-10-3-5/h2-4H,1H3,(H2,8,12)(H,9,10)
InChIKeyIAWAVLIDLDSQTR-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.29
Rot. Bonds3

About 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide

2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 91099037) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
PubChem CID91099037
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
SMILESCC(C(N)=O)C(=O)c1cn[nH]c1
InChIInChI=1S/C7H9N3O2/c1-4(7(8)12)6(11)5-2-9-10-3-5/h2-4H,1H3,(H2,8,12)(H,9,10)
InChIKeyIAWAVLIDLDSQTR-UHFFFAOYSA-N
XLogP-0.29
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide (CID 91099037) is 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide is CC(C(N)=O)C(=O)c1cn[nH]c1.
What is the InChIKey of 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is IAWAVLIDLDSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4(7(8)12)6(11)5-2-9-10-3-5/h2-4H,1H3,(H2,8,12)(H,9,10).
What are the key properties of 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide?
2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 167.17 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 91099037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).