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

C8H9N3O — CID 736199

IUPAC2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C)cc2n1
InChIInChI=1S/C8H9N3O/c1-5-4-8(12)11-7(9-5)3-6(2)10-11/h3-4,10H,1-2H3
InChIKeyLGQMDCIHBYTQJU-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds

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

2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 736199) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID736199
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C)cc2n1
InChIInChI=1S/C8H9N3O/c1-5-4-8(12)11-7(9-5)3-6(2)10-11/h3-4,10H,1-2H3
InChIKeyLGQMDCIHBYTQJU-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 736199) is 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LGQMDCIHBYTQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-4-8(12)11-7(9-5)3-6(2)10-11/h3-4,10H,1-2H3.
What are the key properties of 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-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 2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 736199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).