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

C15H12F3N5O — CID 19552441

IUPAC2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(C2CC2)n(Cc2nnc(-c3ccccn3)o2)n1
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)12-7-11(9-4-5-9)23(22-12)8-13-20-21-14(24-13)10-3-1-2-6-19-10/h1-3,6-7,9H,4-5,8H2
InChIKeyXDYZNUPLJMBEPP-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.27
Rot. Bonds4

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

2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 19552441) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID19552441
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(C2CC2)n(Cc2nnc(-c3ccccn3)o2)n1
InChIInChI=1S/C15H12F3N5O/c16-15(17,18)12-7-11(9-4-5-9)23(22-12)8-13-20-21-14(24-13)10-3-1-2-6-19-10/h1-3,6-7,9H,4-5,8H2
InChIKeyXDYZNUPLJMBEPP-UHFFFAOYSA-N
XLogP3.27
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 19552441) is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is FC(F)(F)c1cc(C2CC2)n(Cc2nnc(-c3ccccn3)o2)n1.
What is the InChIKey of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is XDYZNUPLJMBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c16-15(17,18)12-7-11(9-4-5-9)23(22-12)8-13-20-21-14(24-13)10-3-1-2-6-19-10/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 335.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19552441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).