5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one

C12H10BrN5O2 — CID 118029781

IUPAC5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCc1cc(-c2nn(C)c(=O)o2)n(-c2ccc(Br)cn2)n1
InChIInChI=1S/C12H10BrN5O2/c1-7-5-9(11-16-17(2)12(19)20-11)18(15-7)10-4-3-8(13)6-14-10/h3-6H,1-2H3
InChIKeyOGWRLXWUDLFSDP-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.69
Rot. Bonds2

About 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one

5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 118029781) has the molecular formula C12H10BrN5O2 and a molecular weight of 336.15 g/mol. Its IUPAC name is 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID118029781
Molecular FormulaC12H10BrN5O2
Molecular Weight336.15 g/mol
Exact Mass335.00
IUPAC Name5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
SMILESCc1cc(-c2nn(C)c(=O)o2)n(-c2ccc(Br)cn2)n1
InChIInChI=1S/C12H10BrN5O2/c1-7-5-9(11-16-17(2)12(19)20-11)18(15-7)10-4-3-8(13)6-14-10/h3-6H,1-2H3
InChIKeyOGWRLXWUDLFSDP-UHFFFAOYSA-N
XLogP1.69
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one (CID 118029781) is 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one is Cc1cc(-c2nn(C)c(=O)o2)n(-c2ccc(Br)cn2)n1.
What is the InChIKey of 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is OGWRLXWUDLFSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O2/c1-7-5-9(11-16-17(2)12(19)20-11)18(15-7)10-4-3-8(13)6-14-10/h3-6H,1-2H3.
What are the key properties of 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?
5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 336.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-bromo-2-pyridinyl)-5-methylpyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 118029781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).