7-methylsulfanylpyrazolo[1,5-c]pyrimidine

C7H7N3S — CID 150653420

IUPAC7-methylsulfanylpyrazolo[1,5-c]pyrimidine
SMILESCSc1nccc2ccnn12
InChIInChI=1S/C7H7N3S/c1-11-7-8-4-2-6-3-5-9-10(6)7/h2-5H,1H3
InChIKeyJCIZMKPSVNBZJC-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.45
Rot. Bonds1

About 7-methylsulfanylpyrazolo[1,5-c]pyrimidine

7-methylsulfanylpyrazolo[1,5-c]pyrimidine (PubChem CID 150653420) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 7-methylsulfanylpyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-methylsulfanylpyrazolo[1,5-c]pyrimidine
PubChem CID150653420
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name7-methylsulfanylpyrazolo[1,5-c]pyrimidine
SMILESCSc1nccc2ccnn12
InChIInChI=1S/C7H7N3S/c1-11-7-8-4-2-6-3-5-9-10(6)7/h2-5H,1H3
InChIKeyJCIZMKPSVNBZJC-UHFFFAOYSA-N
XLogP1.45
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanylpyrazolo[1,5-c]pyrimidine?
The IUPAC name of 7-methylsulfanylpyrazolo[1,5-c]pyrimidine (CID 150653420) is 7-methylsulfanylpyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-methylsulfanylpyrazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-methylsulfanylpyrazolo[1,5-c]pyrimidine is CSc1nccc2ccnn12.
What is the InChIKey of 7-methylsulfanylpyrazolo[1,5-c]pyrimidine?
The InChIKey is JCIZMKPSVNBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-11-7-8-4-2-6-3-5-9-10(6)7/h2-5H,1H3.
What are the key properties of 7-methylsulfanylpyrazolo[1,5-c]pyrimidine?
7-methylsulfanylpyrazolo[1,5-c]pyrimidine has a molecular weight of 165.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanylpyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 150653420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).