2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C8H9N3O — CID 135420556

IUPAC2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C8H9N3O/c1-5-3-7-9-8(12)4-6(2)11(7)10-5/h3-4H,1-2H3,(H,9,12)
InChIKeyIIRALYJEXVMXMD-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds

About 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135420556) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135420556
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc2[nH]c(=O)cc(C)n2n1
InChIInChI=1S/C8H9N3O/c1-5-3-7-9-8(12)4-6(2)11(7)10-5/h3-4H,1-2H3,(H,9,12)
InChIKeyIIRALYJEXVMXMD-UHFFFAOYSA-N
XLogP0.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
Butanamide, N-(5-methyl-1H-pyrazol-3-yl)-
CID 5330971
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
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-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135420556) is 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1cc2[nH]c(=O)cc(C)n2n1.
What is the InChIKey of 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IIRALYJEXVMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-7-9-8(12)4-6(2)11(7)10-5/h3-4H,1-2H3,(H,9,12).
What are the key properties of 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 163.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135420556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).