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

C17H13F5N4O2 — CID 19552437

IUPAC2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2nnc(Cn3nc(C(F)(F)F)cc3C3CC3)o2)cc1
InChIInChI=1S/C17H13F5N4O2/c18-16(19)27-11-5-3-10(4-6-11)15-24-23-14(28-15)8-26-12(9-1-2-9)7-13(25-26)17(20,21)22/h3-7,9,16H,1-2,8H2
InChIKeyWUXGHTDYUYRBFI-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.48
Rot. Bonds6

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

2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 19552437) has the molecular formula C17H13F5N4O2 and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
PubChem CID19552437
Molecular FormulaC17H13F5N4O2
Molecular Weight400.31 g/mol
Exact Mass400.10
IUPAC Name2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole
SMILESFC(F)Oc1ccc(-c2nnc(Cn3nc(C(F)(F)F)cc3C3CC3)o2)cc1
InChIInChI=1S/C17H13F5N4O2/c18-16(19)27-11-5-3-10(4-6-11)15-24-23-14(28-15)8-26-12(9-1-2-9)7-13(25-26)17(20,21)22/h3-7,9,16H,1-2,8H2
InChIKeyWUXGHTDYUYRBFI-UHFFFAOYSA-N
XLogP4.48
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.48
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-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole (CID 19552437) is 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole is FC(F)Oc1ccc(-c2nnc(Cn3nc(C(F)(F)F)cc3C3CC3)o2)cc1.
What is the InChIKey of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is WUXGHTDYUYRBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O2/c18-16(19)27-11-5-3-10(4-6-11)15-24-23-14(28-15)8-26-12(9-1-2-9)7-13(25-26)17(20,21)22/h3-7,9,16H,1-2,8H2.
What are the key properties of 2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole?
2-[[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 400.31 g/mol, XLogP of 4.48, 6 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-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19552437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).