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

C15H11BrFN3 — CID 83222297

IUPAC3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2)nc1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-2-10(8-11)15-14(18)9-20(19-15)13-6-4-12(17)5-7-13/h1-9H,18H2
InChIKeySPEDUXPZPZQFLL-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.02
Rot. Bonds2

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

3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine (PubChem CID 83222297) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
PubChem CID83222297
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(F)cc2)nc1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-2-10(8-11)15-14(18)9-20(19-15)13-6-4-12(17)5-7-13/h1-9H,18H2
InChIKeySPEDUXPZPZQFLL-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-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine (CID 83222297) is 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(F)cc2)nc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
The InChIKey is SPEDUXPZPZQFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-11-3-1-2-10(8-11)15-14(18)9-20(19-15)13-6-4-12(17)5-7-13/h1-9H,18H2.
What are the key properties of 3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine?
3-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-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-(3-bromophenyl)-1-(4-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83222297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).