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

C7H5F3N4O — CID 155682014

IUPAC5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCn1ncc(C(F)(F)F)c1-c1ncno1
InChIInChI=1S/C7H5F3N4O/c1-14-5(6-11-3-13-15-6)4(2-12-14)7(8,9)10/h2-3H,1H3
InChIKeyWZDBJYICHQSEON-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.49
Rot. Bonds1

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

5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 155682014) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID155682014
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCn1ncc(C(F)(F)F)c1-c1ncno1
InChIInChI=1S/C7H5F3N4O/c1-14-5(6-11-3-13-15-6)4(2-12-14)7(8,9)10/h2-3H,1H3
InChIKeyWZDBJYICHQSEON-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole (CID 155682014) is 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole is Cn1ncc(C(F)(F)F)c1-c1ncno1.
What is the InChIKey of 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is WZDBJYICHQSEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-14-5(6-11-3-13-15-6)4(2-12-14)7(8,9)10/h2-3H,1H3.
What are the key properties of 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole?
5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 218.14 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 155682014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).