5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

C15H15BrN4O — CID 2742607

IUPAC5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCn1nc(C)c(Br)c1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H15BrN4O/c1-4-20-13(12(16)10(3)18-20)15-17-14(19-21-15)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3
InChIKeyDFMJGFACXUQYMN-UHFFFAOYSA-N
MW347.22 g/mol
LogP4.00
Rot. Bonds3

About 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 2742607) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID2742607
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCCn1nc(C)c(Br)c1-c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H15BrN4O/c1-4-20-13(12(16)10(3)18-20)15-17-14(19-21-15)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3
InChIKeyDFMJGFACXUQYMN-UHFFFAOYSA-N
XLogP4.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 2742607) is 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is CCn1nc(C)c(Br)c1-c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is DFMJGFACXUQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-4-20-13(12(16)10(3)18-20)15-17-14(19-21-15)11-7-5-9(2)6-8-11/h5-8H,4H2,1-3H3.
What are the key properties of 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 347.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).