2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C8H6F3N3S — CID 82270138

IUPAC2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc2nc(C(F)(F)F)cc(=S)n2[nH]1
InChIInChI=1S/C8H6F3N3S/c1-4-2-6-12-5(8(9,10)11)3-7(15)14(6)13-4/h2-3,13H,1H3
InChIKeyWJFVWQFKOTUTEB-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.72
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270138) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270138
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc2nc(C(F)(F)F)cc(=S)n2[nH]1
InChIInChI=1S/C8H6F3N3S/c1-4-2-6-12-5(8(9,10)11)3-7(15)14(6)13-4/h2-3,13H,1H3
InChIKeyWJFVWQFKOTUTEB-UHFFFAOYSA-N
XLogP2.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.72
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

5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-7(4H)-thione
CID 1500135
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione
CID 168951087
5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270038
5-ethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270077
5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270111
2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270139
2-tert-butyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270140
2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270142
2-ethyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270149
5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270165
5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 83399460
2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 14852631

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270138) is 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc2nc(C(F)(F)F)cc(=S)n2[nH]1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is WJFVWQFKOTUTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-4-2-6-12-5(8(9,10)11)3-7(15)14(6)13-4/h2-3,13H,1H3.
What are the key properties of 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 233.22 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).