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

C7H4F3N3S — CID 83399460

IUPAC5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESFC(F)(F)c1cc(=S)n2[nH]ccc2n1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11-13/h1-3,11H
InChIKeyAQBVMGVIOAQMRO-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.41
Rot. Bonds

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

5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 83399460) has the molecular formula C7H4F3N3S and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID83399460
Molecular FormulaC7H4F3N3S
Molecular Weight219.19 g/mol
Exact Mass219.01
IUPAC Name5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESFC(F)(F)c1cc(=S)n2[nH]ccc2n1
InChIInChI=1S/C7H4F3N3S/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11-13/h1-3,11H
InChIKeyAQBVMGVIOAQMRO-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.41
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

Pyrazolo[1,5-a]pyrimidine-7(4H)-thione
CID 12726128
5-Methylpyrazolo [1,5-a]pyrimidine-7-thiol
CID 12726132
7-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-5-thione
CID 177742790
5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270038
2-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270138
2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270142
3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 162574084
7-Methylpyrazolo[1,5-a]pyrimidine-5-thiol
CID 19022437
3-amino-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 164541034

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 83399460) is 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is FC(F)(F)c1cc(=S)n2[nH]ccc2n1.
What is the InChIKey of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is AQBVMGVIOAQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3S/c8-7(9,10)4-3-6(14)13-5(12-4)1-2-11-13/h1-3,11H.
What are the key properties of 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 219.19 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 83399460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).