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

C10H10BrF3N4O — CID 19552649

IUPAC2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)n2nc(C(F)(F)F)c(Br)c2C)o1
InChIInChI=1S/C10H10BrF3N4O/c1-4-7(11)8(10(12,13)14)17-18(4)5(2)9-16-15-6(3)19-9/h5H,1-3H3
InChIKeyBFHZZRRMFLXOFV-UHFFFAOYSA-N
MW339.12 g/mol
LogP3.27
Rot. Bonds2

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

2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 19552649) has the molecular formula C10H10BrF3N4O and a molecular weight of 339.12 g/mol. Its IUPAC name is 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID19552649
Molecular FormulaC10H10BrF3N4O
Molecular Weight339.12 g/mol
Exact Mass338.00
IUPAC Name2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(C)n2nc(C(F)(F)F)c(Br)c2C)o1
InChIInChI=1S/C10H10BrF3N4O/c1-4-7(11)8(10(12,13)14)17-18(4)5(2)9-16-15-6(3)19-9/h5H,1-3H3
InChIKeyBFHZZRRMFLXOFV-UHFFFAOYSA-N
XLogP3.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 53.27
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-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole (CID 19552649) is 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(C)n2nc(C(F)(F)F)c(Br)c2C)o1.
What is the InChIKey of 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is BFHZZRRMFLXOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4O/c1-4-7(11)8(10(12,13)14)17-18(4)5(2)9-16-15-6(3)19-9/h5H,1-3H3.
What are the key properties of 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole?
2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 339.12 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19552649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).