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

C15H11BrFN3 — CID 4661913

IUPAC1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN3/c16-11-3-7-13(8-4-11)20-15(18)9-14(19-20)10-1-5-12(17)6-2-10/h1-9H,18H2
InChIKeyMAZWWXVKFBZQHK-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.02
Rot. Bonds2

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

1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 4661913) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine
PubChem CID4661913
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrFN3/c16-11-3-7-13(8-4-11)20-15(18)9-14(19-20)10-1-5-12(17)6-2-10/h1-9H,18H2
InChIKeyMAZWWXVKFBZQHK-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine (CID 4661913) is 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is MAZWWXVKFBZQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-11-3-7-13(8-4-11)20-15(18)9-14(19-20)10-1-5-12(17)6-2-10/h1-9H,18H2.
What are the key properties of 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine?
1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine has a molecular weight of 332.18 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 4661913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).