4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine

C12H10BrN5O — CID 136827856

IUPAC4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
SMILESCc1ccc(-c2noc(-c3cn[nH]c3N)n2)c(Br)c1
InChIInChI=1S/C12H10BrN5O/c1-6-2-3-7(9(13)4-6)11-16-12(19-18-11)8-5-15-17-10(8)14/h2-5H,1H3,(H3,14,15,17)
InChIKeyZKBDSYPQKURRGD-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.78
Rot. Bonds2

About 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine

4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine (PubChem CID 136827856) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
PubChem CID136827856
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
SMILESCc1ccc(-c2noc(-c3cn[nH]c3N)n2)c(Br)c1
InChIInChI=1S/C12H10BrN5O/c1-6-2-3-7(9(13)4-6)11-16-12(19-18-11)8-5-15-17-10(8)14/h2-5H,1H3,(H3,14,15,17)
InChIKeyZKBDSYPQKURRGD-UHFFFAOYSA-N
XLogP2.78
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 107915252
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107915089
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
CID 136924193
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 107915493
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 114015423
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104677138
4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104881098
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104881067
3-(2-bromo-4-methylphenyl)-5-(1-bromopropyl)-1,2,4-oxadiazole
CID 107915033
(1S)-1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107915239
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104881068

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine (CID 136827856) is 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine is Cc1ccc(-c2noc(-c3cn[nH]c3N)n2)c(Br)c1.
What is the InChIKey of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
The InChIKey is ZKBDSYPQKURRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-6-2-3-7(9(13)4-6)11-16-12(19-18-11)8-5-15-17-10(8)14/h2-5H,1H3,(H3,14,15,17).
What are the key properties of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine has a molecular weight of 320.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 136827856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).