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

C11H15BrN6O — CID 120958625

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(Cn2cc(Br)cn2)n1
InChIInChI=1S/C11H15BrN6O/c1-17-3-2-13-5-9(17)11-15-10(19-16-11)7-18-6-8(12)4-14-18/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyGODVKJPCUWGQLC-UHFFFAOYSA-N
MW327.19 g/mol
LogP0.65
Rot. Bonds3

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

5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958625) has the molecular formula C11H15BrN6O and a molecular weight of 327.19 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958625
Molecular FormulaC11H15BrN6O
Molecular Weight327.19 g/mol
Exact Mass326.05
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(Cn2cc(Br)cn2)n1
InChIInChI=1S/C11H15BrN6O/c1-17-3-2-13-5-9(17)11-15-10(19-16-11)7-18-6-8(12)4-14-18/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyGODVKJPCUWGQLC-UHFFFAOYSA-N
XLogP0.65
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-benzylpyrazol-4-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959479
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
2-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 120956806
5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960836
5-[(5-bromo-2-methoxyphenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958081
N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide;hydrochloride
CID 120956861
5-[(4-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956073
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
5-[1-(4-bromophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956580
5-(2-ethoxyethyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960102
4-methoxy-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 120956782

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958625) is 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(Cn2cc(Br)cn2)n1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is GODVKJPCUWGQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6O/c1-17-3-2-13-5-9(17)11-15-10(19-16-11)7-18-6-8(12)4-14-18/h4,6,9,13H,2-3,5,7H2,1H3.
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 327.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).