2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole

C10H11BrF2N4O — CID 19554619

IUPAC2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)n2nc(C(F)F)c(Br)c2C)o1
InChIInChI=1S/C10H11BrF2N4O/c1-4-7(11)8(9(12)13)16-17(4)5(2)10-15-14-6(3)18-10/h5,9H,1-3H3
InChIKeyZBMOXICQXUCFCT-UHFFFAOYSA-N
MW321.13 g/mol
LogP3.19
Rot. Bonds3

About 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole

2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 19554619) has the molecular formula C10H11BrF2N4O and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID19554619
Molecular FormulaC10H11BrF2N4O
Molecular Weight321.13 g/mol
Exact Mass320.01
IUPAC Name2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)n2nc(C(F)F)c(Br)c2C)o1
InChIInChI=1S/C10H11BrF2N4O/c1-4-7(11)8(9(12)13)16-17(4)5(2)10-15-14-6(3)18-10/h5,9H,1-3H3
InChIKeyZBMOXICQXUCFCT-UHFFFAOYSA-N
XLogP3.19
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (CID 19554619) is 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(C)n2nc(C(F)F)c(Br)c2C)o1.
What is the InChIKey of 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is ZBMOXICQXUCFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N4O/c1-4-7(11)8(9(12)13)16-17(4)5(2)10-15-14-6(3)18-10/h5,9H,1-3H3.
What are the key properties of 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 321.13 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19554619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).