1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine

C15H11Br2N3 — CID 43542754

IUPAC1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1cccc(Br)c1
InChIInChI=1S/C15H11Br2N3/c16-11-6-4-10(5-7-11)14-9-15(18)20(19-14)13-3-1-2-12(17)8-13/h1-9H,18H2
InChIKeyLXEOBVXQTOPANL-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.65
Rot. Bonds2

About 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine

1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine (PubChem CID 43542754) has the molecular formula C15H11Br2N3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
PubChem CID43542754
Molecular FormulaC15H11Br2N3
Molecular Weight393.08 g/mol
Exact Mass390.93
IUPAC Name1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1cccc(Br)c1
InChIInChI=1S/C15H11Br2N3/c16-11-6-4-10(5-7-11)14-9-15(18)20(19-14)13-3-1-2-12(17)8-13/h1-9H,18H2
InChIKeyLXEOBVXQTOPANL-UHFFFAOYSA-N
XLogP4.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine (CID 43542754) is 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine?
The InChIKey is LXEOBVXQTOPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3/c16-11-6-4-10(5-7-11)14-9-15(18)20(19-14)13-3-1-2-12(17)8-13/h1-9H,18H2.
What are the key properties of 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine?
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine has a molecular weight of 393.08 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine is sourced from PubChem (CID 43542754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).