2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole

C7H5F3N4O — CID 170379642

IUPAC2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnn(C(F)(F)F)c2)o1
InChIInChI=1S/C7H5F3N4O/c1-4-12-13-6(15-4)5-2-11-14(3-5)7(8,9)10/h2-3H,1H3
InChIKeyOTOXRHNJIXFUQV-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.72
Rot. Bonds1

About 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole

2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (PubChem CID 170379642) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
PubChem CID170379642
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnn(C(F)(F)F)c2)o1
InChIInChI=1S/C7H5F3N4O/c1-4-12-13-6(15-4)5-2-11-14(3-5)7(8,9)10/h2-3H,1H3
InChIKeyOTOXRHNJIXFUQV-UHFFFAOYSA-N
XLogP1.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole (CID 170379642) is 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is Cc1nnc(-c2cnn(C(F)(F)F)c2)o1.
What is the InChIKey of 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is OTOXRHNJIXFUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-4-12-13-6(15-4)5-2-11-14(3-5)7(8,9)10/h2-3H,1H3.
What are the key properties of 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole?
2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 218.14 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170379642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).