7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine

C8H9N3S — CID 641905

IUPAC7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1cc(C)n2nccc2n1
InChIInChI=1S/C8H9N3S/c1-6-5-8(12-2)10-7-3-4-9-11(6)7/h3-5H,1-2H3
InChIKeyCAMYQIUPVLFBHF-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.76
Rot. Bonds1

About 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine

7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 641905) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID641905
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1cc(C)n2nccc2n1
InChIInChI=1S/C8H9N3S/c1-6-5-8(12-2)10-7-3-4-9-11(6)7/h3-5H,1-2H3
InChIKeyCAMYQIUPVLFBHF-UHFFFAOYSA-N
XLogP1.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 641905) is 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine is CSc1cc(C)n2nccc2n1.
What is the InChIKey of 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CAMYQIUPVLFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-5-8(12-2)10-7-3-4-9-11(6)7/h3-5H,1-2H3.
What are the key properties of 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine?
7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 179.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 641905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).