1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine

C13H10BrN3O — CID 43542763

IUPAC1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1cccc(Br)c1
InChIInChI=1S/C13H10BrN3O/c14-9-3-1-4-10(7-9)17-13(15)8-11(16-17)12-5-2-6-18-12/h1-8H,15H2
InChIKeyMPSGTOBEVJJYCR-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.48
Rot. Bonds2

About 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine

1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine (PubChem CID 43542763) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
PubChem CID43542763
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1-c1cccc(Br)c1
InChIInChI=1S/C13H10BrN3O/c14-9-3-1-4-10(7-9)17-13(15)8-11(16-17)12-5-2-6-18-12/h1-8H,15H2
InChIKeyMPSGTOBEVJJYCR-UHFFFAOYSA-N
XLogP3.48
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine (CID 43542763) is 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine is Nc1cc(-c2ccco2)nn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine?
The InChIKey is MPSGTOBEVJJYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-9-3-1-4-10(7-9)17-13(15)8-11(16-17)12-5-2-6-18-12/h1-8H,15H2.
What are the key properties of 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine?
1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine has a molecular weight of 304.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 43542763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).