1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine

C15H11Br2N3 — CID 83222311

IUPAC1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3/c16-11-7-5-10(6-8-11)15-13(18)9-20(19-15)14-4-2-1-3-12(14)17/h1-9H,18H2
InChIKeyVEBVJSUQVALICW-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.65
Rot. Bonds2

About 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine

1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine (PubChem CID 83222311) has the molecular formula C15H11Br2N3 and a molecular weight of 393.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
PubChem CID83222311
Molecular FormulaC15H11Br2N3
Molecular Weight393.08 g/mol
Exact Mass390.93
IUPAC Name1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2N3/c16-11-7-5-10(6-8-11)15-13(18)9-20(19-15)14-4-2-1-3-12(14)17/h1-9H,18H2
InChIKeyVEBVJSUQVALICW-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-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine (CID 83222311) is 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine is Nc1cn(-c2ccccc2Br)nc1-c1ccc(Br)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine?
The InChIKey is VEBVJSUQVALICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3/c16-11-7-5-10(6-8-11)15-13(18)9-20(19-15)14-4-2-1-3-12(14)17/h1-9H,18H2.
What are the key properties of 1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine?
1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-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-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine is sourced from PubChem (CID 83222311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).