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

C7H6FN3O — CID 59462700

IUPAC6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1F
InChIInChI=1S/C7H6FN3O/c1-4-6(8)7(12)11-5(10-4)2-3-9-11/h2-3,9H,1H3
InChIKeyQHKTXAGLMGSFSC-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.47
Rot. Bonds

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

6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 59462700) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID59462700
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc[nH]n2c(=O)c1F
InChIInChI=1S/C7H6FN3O/c1-4-6(8)7(12)11-5(10-4)2-3-9-11/h2-3,9H,1H3
InChIKeyQHKTXAGLMGSFSC-UHFFFAOYSA-N
XLogP0.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 59462700) is 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc[nH]n2c(=O)c1F.
What is the InChIKey of 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QHKTXAGLMGSFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-4-6(8)7(12)11-5(10-4)2-3-9-11/h2-3,9H,1H3.
What are the key properties of 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 167.14 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 59462700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).