2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C15H13F3N4O — CID 2744338

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCCn1nc(C)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H13F3N4O/c1-3-22-12(8-9(2)21-22)14-20-19-13(23-14)10-4-6-11(7-5-10)15(16,17)18/h4-8H,3H2,1-2H3
InChIKeyNWQHLHAXKKZHBQ-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.95
Rot. Bonds3

About 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 2744338) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID2744338
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCCn1nc(C)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C15H13F3N4O/c1-3-22-12(8-9(2)21-22)14-20-19-13(23-14)10-4-6-11(7-5-10)15(16,17)18/h4-8H,3H2,1-2H3
InChIKeyNWQHLHAXKKZHBQ-UHFFFAOYSA-N
XLogP3.95
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 2744338) is 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is CCn1nc(C)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is NWQHLHAXKKZHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-3-22-12(8-9(2)21-22)14-20-19-13(23-14)10-4-6-11(7-5-10)15(16,17)18/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 322.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).