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

C15H11BrFN3 — CID 1478040

IUPAC3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyMSYLCFULVALFQN-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.02
Rot. Bonds2

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

3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine (PubChem CID 1478040) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine
PubChem CID1478040
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyMSYLCFULVALFQN-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 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine (CID 1478040) is 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
The InChIKey is MSYLCFULVALFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)14-9-15(18)20(19-14)13-7-5-12(17)6-8-13/h1-9H,18H2.
What are the key properties of 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine?
3-(4-bromophenyl)-1-(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 3-(4-bromophenyl)-1-(4-fluorophenyl)pyrazol-5-amine is sourced from PubChem (CID 1478040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).