4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one

C8H9N3O — CID 12726145

IUPAC4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nccc2n1C
InChIInChI=1S/C8H9N3O/c1-6-5-8(12)11-7(10(6)2)3-4-9-11/h3-5H,1-2H3
InChIKeyMQFGLIDHMLTVCX-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.34
Rot. Bonds

About 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one

4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 12726145) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID12726145
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2nccc2n1C
InChIInChI=1S/C8H9N3O/c1-6-5-8(12)11-7(10(6)2)3-4-9-11/h3-5H,1-2H3
InChIKeyMQFGLIDHMLTVCX-UHFFFAOYSA-N
XLogP0.34
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one (CID 12726145) is 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2nccc2n1C.
What is the InChIKey of 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MQFGLIDHMLTVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-5-8(12)11-7(10(6)2)3-4-9-11/h3-5H,1-2H3.
What are the key properties of 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one?
4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 163.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 12726145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).