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

C9H8F3N3S — CID 82270165

IUPAC5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1nc2cc(C(F)(F)F)[nH]n2c(=S)c1C
InChIInChI=1S/C9H8F3N3S/c1-4-5(2)13-7-3-6(9(10,11)12)14-15(7)8(4)16/h3,14H,1-2H3
InChIKeyPOEGOGVKRZOCPY-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.03
Rot. Bonds

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

5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270165) has the molecular formula C9H8F3N3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270165
Molecular FormulaC9H8F3N3S
Molecular Weight247.24 g/mol
Exact Mass247.04
IUPAC Name5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1nc2cc(C(F)(F)F)[nH]n2c(=S)c1C
InChIInChI=1S/C9H8F3N3S/c1-4-5(2)13-7-3-6(9(10,11)12)14-15(7)8(4)16/h3,14H,1-2H3
InChIKeyPOEGOGVKRZOCPY-UHFFFAOYSA-N
XLogP3.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270138
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
3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 162574084
2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 14852631
2,5,6-trimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270161

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270165) is 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1nc2cc(C(F)(F)F)[nH]n2c(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is POEGOGVKRZOCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c1-4-5(2)13-7-3-6(9(10,11)12)14-15(7)8(4)16/h3,14H,1-2H3.
What are the key properties of 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 247.24 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).