7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C7H7N3O2 — CID 135706081

IUPAC7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(O)n2nccc2[nH]c1=O
InChIInChI=1S/C7H7N3O2/c1-4-6(11)9-5-2-3-8-10(5)7(4)12/h2-3,12H,1H3,(H,9,11)
InChIKeyAOKJZHMJHKASHV-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.04
Rot. Bonds

About 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135706081) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135706081
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(O)n2nccc2[nH]c1=O
InChIInChI=1S/C7H7N3O2/c1-4-6(11)9-5-2-3-8-10(5)7(4)12/h2-3,12H,1H3,(H,9,11)
InChIKeyAOKJZHMJHKASHV-UHFFFAOYSA-N
XLogP0.04
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135706081) is 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1c(O)n2nccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is AOKJZHMJHKASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-6(11)9-5-2-3-8-10(5)7(4)12/h2-3,12H,1H3,(H,9,11).
What are the key properties of 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 165.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135706081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).