5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C7H7N3S — CID 12726132

IUPAC5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]ccc2n1
InChIInChI=1S/C7H7N3S/c1-5-4-7(11)10-6(9-5)2-3-8-10/h2-4,8H,1H3
InChIKeyOVRIHWBRXYNZGD-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.70
Rot. Bonds

About 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 12726132) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID12726132
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]ccc2n1
InChIInChI=1S/C7H7N3S/c1-5-4-7(11)10-6(9-5)2-3-8-10/h2-4,8H,1H3
InChIKeyOVRIHWBRXYNZGD-UHFFFAOYSA-N
XLogP1.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 12726132) is 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc(=S)n2[nH]ccc2n1.
What is the InChIKey of 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is OVRIHWBRXYNZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-5-4-7(11)10-6(9-5)2-3-8-10/h2-4,8H,1H3.
What are the key properties of 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 165.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 12726132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).