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

C10H13BrN4O — CID 19550478

IUPAC2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CCn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C10H13BrN4O/c1-6-10(11)7(2)15(14-6)5-4-9-13-12-8(3)16-9/h4-5H2,1-3H3
InChIKeyCCVOMCPIFPMVDU-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.20
Rot. Bonds3

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

2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 19550478) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID19550478
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CCn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C10H13BrN4O/c1-6-10(11)7(2)15(14-6)5-4-9-13-12-8(3)16-9/h4-5H2,1-3H3
InChIKeyCCVOMCPIFPMVDU-UHFFFAOYSA-N
XLogP2.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole (CID 19550478) is 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CCn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is CCVOMCPIFPMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-6-10(11)7(2)15(14-6)5-4-9-13-12-8(3)16-9/h4-5H2,1-3H3.
What are the key properties of 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole?
2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 285.14 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 19550478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).