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

C8H9BrN4O — CID 61496925

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C8H9BrN4O/c1-2-8-11-7(12-14-8)5-13-4-6(9)3-10-13/h3-4H,2,5H2,1H3
InChIKeyCDFZZMNEHXJBAE-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.64
Rot. Bonds3

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

3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole (PubChem CID 61496925) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
PubChem CID61496925
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C8H9BrN4O/c1-2-8-11-7(12-14-8)5-13-4-6(9)3-10-13/h3-4H,2,5H2,1H3
InChIKeyCDFZZMNEHXJBAE-UHFFFAOYSA-N
XLogP1.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromopyrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 55137788
3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide
CID 17082779
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
5-[(4-methylpyrazol-1-yl)methyl]-3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 71931260
5-(2-methylpropyl)-3-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 71996931
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 81448656
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420018
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 81449381
4-[(4-bromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
CID 130703277
3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 16765775
5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958625

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole (CID 61496925) is 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole is CCc1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole?
The InChIKey is CDFZZMNEHXJBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-2-8-11-7(12-14-8)5-13-4-6(9)3-10-13/h3-4H,2,5H2,1H3.
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole?
3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole has a molecular weight of 257.09 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 61496925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).