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

C11H10BrF3N4O — CID 19552388

IUPAC2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(C(F)(F)F)c(Br)c2C2CC2)o1
InChIInChI=1S/C11H10BrF3N4O/c1-5-16-17-7(20-5)4-19-9(6-2-3-6)8(12)10(18-19)11(13,14)15/h6H,2-4H2,1H3
InChIKeyPZPCRLSETSUSEN-UHFFFAOYSA-N
MW351.13 g/mol
LogP3.28
Rot. Bonds3

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

2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 19552388) has the molecular formula C11H10BrF3N4O and a molecular weight of 351.13 g/mol. Its IUPAC name is 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID19552388
Molecular FormulaC11H10BrF3N4O
Molecular Weight351.13 g/mol
Exact Mass350.00
IUPAC Name2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(C(F)(F)F)c(Br)c2C2CC2)o1
InChIInChI=1S/C11H10BrF3N4O/c1-5-16-17-7(20-5)4-19-9(6-2-3-6)8(12)10(18-19)11(13,14)15/h6H,2-4H2,1H3
InChIKeyPZPCRLSETSUSEN-UHFFFAOYSA-N
XLogP3.28
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 19552388) is 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2nc(C(F)(F)F)c(Br)c2C2CC2)o1.
What is the InChIKey of 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is PZPCRLSETSUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N4O/c1-5-16-17-7(20-5)4-19-9(6-2-3-6)8(12)10(18-19)11(13,14)15/h6H,2-4H2,1H3.
What are the key properties of 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 351.13 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19552388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).