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

C8H3F6N3S — CID 82270142

IUPAC2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESFC(F)(F)c1cc(=S)n2[nH]c(C(F)(F)F)cc2n1
InChIInChI=1S/C8H3F6N3S/c9-7(10,11)3-2-6(18)17-5(15-3)1-4(16-17)8(12,13)14/h1-2,16H
InChIKeyMJQQBHGEOZLWKF-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.43
Rot. Bonds

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

2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270142) has the molecular formula C8H3F6N3S and a molecular weight of 287.19 g/mol. Its IUPAC name is 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270142
Molecular FormulaC8H3F6N3S
Molecular Weight287.19 g/mol
Exact Mass287.00
IUPAC Name2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESFC(F)(F)c1cc(=S)n2[nH]c(C(F)(F)F)cc2n1
InChIInChI=1S/C8H3F6N3S/c9-7(10,11)3-2-6(18)17-5(15-3)1-4(16-17)8(12,13)14/h1-2,16H
InChIKeyMJQQBHGEOZLWKF-UHFFFAOYSA-N
XLogP3.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-bis(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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270142) is 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is FC(F)(F)c1cc(=S)n2[nH]c(C(F)(F)F)cc2n1.
What is the InChIKey of 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is MJQQBHGEOZLWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6N3S/c9-7(10,11)3-2-6(18)17-5(15-3)1-4(16-17)8(12,13)14/h1-2,16H.
What are the key properties of 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 287.19 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).