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

C15H11BrFN3 — CID 102147455

IUPAC5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESFc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-13-6-4-12(17)5-7-13/h1-9H,(H2,18,19,20)
InChIKeyJUGZBZUPHULUDM-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.72
Rot. Bonds3

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

5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 102147455) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID102147455
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC Name5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESFc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-13-6-4-12(17)5-7-13/h1-9H,(H2,18,19,20)
InChIKeyJUGZBZUPHULUDM-UHFFFAOYSA-N
XLogP4.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine (CID 102147455) is 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine is Fc1ccc(Nc2cc(-c3cccc(Br)c3)[nH]n2)cc1.
What is the InChIKey of 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is JUGZBZUPHULUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-11-3-1-2-10(8-11)14-9-15(20-19-14)18-13-6-4-12(17)5-7-13/h1-9H,(H2,18,19,20).
What are the key properties of 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine?
5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 332.18 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-(4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 102147455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).