5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C15H15N3S — CID 82270176

IUPAC5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cccc(-c2cc3nc(C)c(C)c(=S)n3[nH]2)c1
InChIInChI=1S/C15H15N3S/c1-9-5-4-6-12(7-9)13-8-14-16-11(3)10(2)15(19)18(14)17-13/h4-8,17H,1-3H3
InChIKeyDZYJUZRWLMLMJE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.98
Rot. Bonds1

About 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione

5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270176) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270176
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cccc(-c2cc3nc(C)c(C)c(=S)n3[nH]2)c1
InChIInChI=1S/C15H15N3S/c1-9-5-4-6-12(7-9)13-8-14-16-11(3)10(2)15(19)18(14)17-13/h4-8,17H,1-3H3
InChIKeyDZYJUZRWLMLMJE-UHFFFAOYSA-N
XLogP3.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270052
5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 12726134
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
ethyl 3-[5-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 845863
2-cyclobutyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270169
5-[[(4-fluorophenyl)methyl-(2-methylpropyl)amino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382027
2-methyl-4-(3-methylphenyl)-1H-diazete
CID 142472008
4-amino-6-(3-methylphenyl)-1H-pyrimidine-2-thione
CID 82079026
5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973516
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
2-ethyl-6-(3-methylphenyl)-1H-pyrimidine-4-thione
CID 106515355
5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 86164563

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270176) is 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cccc(-c2cc3nc(C)c(C)c(=S)n3[nH]2)c1.
What is the InChIKey of 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is DZYJUZRWLMLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-5-4-6-12(7-9)13-8-14-16-11(3)10(2)15(19)18(14)17-13/h4-8,17H,1-3H3.
What are the key properties of 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 269.37 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).