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

C12H9BrFN5O — CID 107280048

IUPAC1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3ccc(F)cc3Br)no2)c1
InChIInChI=1S/C12H9BrFN5O/c13-10-3-7(14)1-2-9(10)12-17-11(20-18-12)6-19-5-8(15)4-16-19/h1-5H,6,15H2
InChIKeyYPHNWEPGYRBISX-UHFFFAOYSA-N
MW338.14 g/mol
LogP2.47
Rot. Bonds3

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

1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 107280048) has the molecular formula C12H9BrFN5O and a molecular weight of 338.14 g/mol. Its IUPAC name is 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID107280048
Molecular FormulaC12H9BrFN5O
Molecular Weight338.14 g/mol
Exact Mass337.00
IUPAC Name1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(-c3ccc(F)cc3Br)no2)c1
InChIInChI=1S/C12H9BrFN5O/c13-10-3-7(14)1-2-9(10)12-17-11(20-18-12)6-19-5-8(15)4-16-19/h1-5H,6,15H2
InChIKeyYPHNWEPGYRBISX-UHFFFAOYSA-N
XLogP2.47
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine with MolForge

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Related Compounds

4-[5-[(4-aminopyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889011
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107280243
1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 55103645
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 107280159
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572
N-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107280277
2-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 107282899
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 107280288
N-[2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylpropan-2-amine
CID 107280009
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine
CID 107280250
[1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 107280261

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 107280048) is 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(-c3ccc(F)cc3Br)no2)c1.
What is the InChIKey of 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is YPHNWEPGYRBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN5O/c13-10-3-7(14)1-2-9(10)12-17-11(20-18-12)6-19-5-8(15)4-16-19/h1-5H,6,15H2.
What are the key properties of 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 338.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 107280048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).