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

C11H7BrClN5O — CID 136924193

IUPAC4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H7BrClN5O/c12-7-3-5(1-2-8(7)13)10-16-11(19-18-10)6-4-15-17-9(6)14/h1-4H,(H3,14,15,17)
InChIKeyXRKUTWRFOAPOFZ-UHFFFAOYSA-N
MW340.57 g/mol
LogP3.12
Rot. Bonds2

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

4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine (PubChem CID 136924193) has the molecular formula C11H7BrClN5O and a molecular weight of 340.57 g/mol. Its IUPAC name is 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
PubChem CID136924193
Molecular FormulaC11H7BrClN5O
Molecular Weight340.57 g/mol
Exact Mass338.95
IUPAC Name4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1nc(-c2ccc(Cl)c(Br)c2)no1
InChIInChI=1S/C11H7BrClN5O/c12-7-3-5(1-2-8(7)13)10-16-11(19-18-10)6-4-15-17-9(6)14/h1-4H,(H3,14,15,17)
InChIKeyXRKUTWRFOAPOFZ-UHFFFAOYSA-N
XLogP3.12
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodoaniline
CID 115565473
3-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103844013
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
CID 136827856
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 136920369
5-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706897
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82788167
3-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 82788705
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115565498
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-chloroaniline
CID 60862549

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine (CID 136924193) is 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1nc(-c2ccc(Cl)c(Br)c2)no1.
What is the InChIKey of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
The InChIKey is XRKUTWRFOAPOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN5O/c12-7-3-5(1-2-8(7)13)10-16-11(19-18-10)6-4-15-17-9(6)14/h1-4H,(H3,14,15,17).
What are the key properties of 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine?
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine has a molecular weight of 340.57 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 136924193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).