5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C19H17F3N4O — CID 75286524

IUPAC5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccccc1C1CC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)NN1
InChIInChI=1S/C19H17F3N4O/c1-11-4-2-3-5-14(11)15-10-16(25-24-15)18-23-17(26-27-18)12-6-8-13(9-7-12)19(20,21)22/h2-9,15-16,24-25H,10H2,1H3
InChIKeySWWJBBSCWJKGHY-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.34
Rot. Bonds3

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

5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 75286524) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID75286524
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccccc1C1CC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)NN1
InChIInChI=1S/C19H17F3N4O/c1-11-4-2-3-5-14(11)15-10-16(25-24-15)18-23-17(26-27-18)12-6-8-13(9-7-12)19(20,21)22/h2-9,15-16,24-25H,10H2,1H3
InChIKeySWWJBBSCWJKGHY-UHFFFAOYSA-N
XLogP4.34
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 75286524) is 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1ccccc1C1CC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)NN1.
What is the InChIKey of 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SWWJBBSCWJKGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-11-4-2-3-5-14(11)15-10-16(25-24-15)18-23-17(26-27-18)12-6-8-13(9-7-12)19(20,21)22/h2-9,15-16,24-25H,10H2,1H3.
What are the key properties of 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 374.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75286524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).