2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione

C7H7N3O2 — CID 135608460

IUPAC2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESCc1cc2n(n1)C(=O)CC(=O)N2
InChIInChI=1S/C7H7N3O2/c1-4-2-5-8-6(11)3-7(12)10(5)9-4/h2H,3H2,1H3,(H,8,11)
InChIKeyPPOAIFZITAMTFV-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.17
Rot. Bonds

About 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione

2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (PubChem CID 135608460) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
PubChem CID135608460
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione
SMILESCc1cc2n(n1)C(=O)CC(=O)N2
InChIInChI=1S/C7H7N3O2/c1-4-2-5-8-6(11)3-7(12)10(5)9-4/h2H,3H2,1H3,(H,8,11)
InChIKeyPPOAIFZITAMTFV-UHFFFAOYSA-N
XLogP0.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
3-butyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135481129
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(1-(tert-Butyl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 6621900
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135423459
7-Methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diol
CID 136219281
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135752887
2,6-dimethyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-5,7-dione
CID 136264587

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The IUPAC name of 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione (CID 135608460) is 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione.
What is the SMILES notation for 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The canonical SMILES for 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is Cc1cc2n(n1)C(=O)CC(=O)N2.
What is the InChIKey of 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
The InChIKey is PPOAIFZITAMTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-2-5-8-6(11)3-7(12)10(5)9-4/h2H,3H2,1H3,(H,8,11).
What are the key properties of 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione?
2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione has a molecular weight of 165.15 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-pyrazolo[1,5-a]pyrimidine-5,7-dione is sourced from PubChem (CID 135608460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).