5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole

C9H7F6N3S — CID 161488220

IUPAC5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccnn1C(F)(F)F.FC(F)(F)c1nccs1
InChIInChI=1S/C5H5F3N2.C4H2F3NS/c1-4-2-3-9-10(4)5(6,7)8;5-4(6,7)3-8-1-2-9-3/h2-3H,1H3;1-2H
InChIKeyWFGHAVNQSVXPBK-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.83
Rot. Bonds

About 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole

5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole (PubChem CID 161488220) has the molecular formula C9H7F6N3S and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole
PubChem CID161488220
Molecular FormulaC9H7F6N3S
Molecular Weight303.23 g/mol
Exact Mass303.03
IUPAC Name5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole
SMILESCc1ccnn1C(F)(F)F.FC(F)(F)c1nccs1
InChIInChI=1S/C5H5F3N2.C4H2F3NS/c1-4-2-3-9-10(4)5(6,7)8;5-4(6,7)3-8-1-2-9-3/h2-3H,1H3;1-2H
InChIKeyWFGHAVNQSVXPBK-UHFFFAOYSA-N
XLogP3.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole (CID 161488220) is 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole is Cc1ccnn1C(F)(F)F.FC(F)(F)c1nccs1.
What is the InChIKey of 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WFGHAVNQSVXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2.C4H2F3NS/c1-4-2-3-9-10(4)5(6,7)8;5-4(6,7)3-8-1-2-9-3/h2-3H,1H3;1-2H.
What are the key properties of 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole?
5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 303.23 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 161488220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).