3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole

C9H7F6N3O — CID 158007484

IUPAC3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole
SMILESCc1ccn(C(F)(F)F)n1.FC(F)(F)c1ncco1
InChIInChI=1S/C5H5F3N2.C4H2F3NO/c1-4-2-3-10(9-4)5(6,7)8;5-4(6,7)3-8-1-2-9-3/h2-3H,1H3;1-2H
InChIKeyFELXMQDKYCPOCY-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.36
Rot. Bonds

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

3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole (PubChem CID 158007484) has the molecular formula C9H7F6N3O and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole
PubChem CID158007484
Molecular FormulaC9H7F6N3O
Molecular Weight287.16 g/mol
Exact Mass287.05
IUPAC Name3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole
SMILESCc1ccn(C(F)(F)F)n1.FC(F)(F)c1ncco1
InChIInChI=1S/C5H5F3N2.C4H2F3NO/c1-4-2-3-10(9-4)5(6,7)8;5-4(6,7)3-8-1-2-9-3/h2-3H,1H3;1-2H
InChIKeyFELXMQDKYCPOCY-UHFFFAOYSA-N
XLogP3.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole (CID 158007484) is 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole is Cc1ccn(C(F)(F)F)n1.FC(F)(F)c1ncco1.
What is the InChIKey of 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is FELXMQDKYCPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2.C4H2F3NO/c1-4-2-3-10(9-4)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 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole?
3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 287.16 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(trifluoromethyl)pyrazole;2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 158007484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).