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

C17H12BrN5O — CID 19542112

IUPAC2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESBrc1cnn(Cc2ccc(-c3nnc(-c4ccccn4)o3)cc2)c1
InChIInChI=1S/C17H12BrN5O/c18-14-9-20-23(11-14)10-12-4-6-13(7-5-12)16-21-22-17(24-16)15-3-1-2-8-19-15/h1-9,11H,10H2
InChIKeyXDRDHODTDSULOA-UHFFFAOYSA-N
MW382.22 g/mol
LogP3.81
Rot. Bonds4

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

2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 19542112) has the molecular formula C17H12BrN5O and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID19542112
Molecular FormulaC17H12BrN5O
Molecular Weight382.22 g/mol
Exact Mass381.02
IUPAC Name2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESBrc1cnn(Cc2ccc(-c3nnc(-c4ccccn4)o3)cc2)c1
InChIInChI=1S/C17H12BrN5O/c18-14-9-20-23(11-14)10-12-4-6-13(7-5-12)16-21-22-17(24-16)15-3-1-2-8-19-15/h1-9,11H,10H2
InChIKeyXDRDHODTDSULOA-UHFFFAOYSA-N
XLogP3.81
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 19542112) is 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole is Brc1cnn(Cc2ccc(-c3nnc(-c4ccccn4)o3)cc2)c1.
What is the InChIKey of 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is XDRDHODTDSULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O/c18-14-9-20-23(11-14)10-12-4-6-13(7-5-12)16-21-22-17(24-16)15-3-1-2-8-19-15/h1-9,11H,10H2.
What are the key properties of 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 382.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19542112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).