2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

C8H7F3N4S — CID 114450428

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1cc(C)n(-c2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C8H7F3N4S/c1-4-3-5(2)15(14-4)7-13-12-6(16-7)8(9,10)11/h3H,1-2H3
InChIKeyFCZXACHGXIETCG-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.36
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole

2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 114450428) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID114450428
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1cc(C)n(-c2nnc(C(F)(F)F)s2)n1
InChIInChI=1S/C8H7F3N4S/c1-4-3-5(2)15(14-4)7-13-12-6(16-7)8(9,10)11/h3H,1-2H3
InChIKeyFCZXACHGXIETCG-UHFFFAOYSA-N
XLogP2.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 114450428) is 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is Cc1cc(C)n(-c2nnc(C(F)(F)F)s2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is FCZXACHGXIETCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c1-4-3-5(2)15(14-4)7-13-12-6(16-7)8(9,10)11/h3H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 248.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 114450428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).