4-methylpyrazolo[1,5-a]pyrimidine-7-thione

C7H7N3S — CID 12726141

IUPAC4-methylpyrazolo[1,5-a]pyrimidine-7-thione
SMILESCn1ccc(=S)n2nccc12
InChIInChI=1S/C7H7N3S/c1-9-5-3-7(11)10-6(9)2-4-8-10/h2-5H,1H3
InChIKeyDPGLDBBFCNYRDY-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.40
Rot. Bonds

About 4-methylpyrazolo[1,5-a]pyrimidine-7-thione

4-methylpyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 12726141) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-methylpyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name4-methylpyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID12726141
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-methylpyrazolo[1,5-a]pyrimidine-7-thione
SMILESCn1ccc(=S)n2nccc12
InChIInChI=1S/C7H7N3S/c1-9-5-3-7(11)10-6(9)2-4-8-10/h2-5H,1H3
InChIKeyDPGLDBBFCNYRDY-UHFFFAOYSA-N
XLogP1.40
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 4-methylpyrazolo[1,5-a]pyrimidine-7-thione (CID 12726141) is 4-methylpyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 4-methylpyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 4-methylpyrazolo[1,5-a]pyrimidine-7-thione is Cn1ccc(=S)n2nccc12.
What is the InChIKey of 4-methylpyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is DPGLDBBFCNYRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-9-5-3-7(11)10-6(9)2-4-8-10/h2-5H,1H3.
What are the key properties of 4-methylpyrazolo[1,5-a]pyrimidine-7-thione?
4-methylpyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 165.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 12726141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).