5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C15H11F3N4O — CID 42585035

IUPAC5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-3-1-2-9(6-10)13-19-14(23-22-13)12-7-11(20-21-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)
InChIKeyNNYNRIOFYCYKOI-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.02
Rot. Bonds3

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

5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 42585035) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID42585035
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)10-3-1-2-9(6-10)13-19-14(23-22-13)12-7-11(20-21-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21)
InChIKeyNNYNRIOFYCYKOI-UHFFFAOYSA-N
XLogP4.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 42585035) is 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is NNYNRIOFYCYKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)10-3-1-2-9(6-10)13-19-14(23-22-13)12-7-11(20-21-12)8-4-5-8/h1-3,6-8H,4-5H2,(H,20,21).
What are the key properties of 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 320.27 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42585035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).