5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C13H11N3S — CID 12726134

IUPAC5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C13H11N3S/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyGIONPZWXBDSDJJ-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.37
Rot. Bonds1

About 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 12726134) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID12726134
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C13H11N3S/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyGIONPZWXBDSDJJ-UHFFFAOYSA-N
XLogP3.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.37
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-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 12726134) is 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc(=S)n2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is GIONPZWXBDSDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h2-8,15H,1H3.
What are the key properties of 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 241.32 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 12726134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).