3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine

C13H9BrFN3O — CID 104653732

IUPAC3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2cccc(F)c2)nc1-c1ccc(Br)o1
InChIInChI=1S/C13H9BrFN3O/c14-12-5-4-11(19-12)13-10(16)7-18(17-13)9-3-1-2-8(15)6-9/h1-7H,16H2
InChIKeyPEKXAFSIALDUMJ-UHFFFAOYSA-N
MW322.14 g/mol
LogP3.62
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine

3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine (PubChem CID 104653732) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine
PubChem CID104653732
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2cccc(F)c2)nc1-c1ccc(Br)o1
InChIInChI=1S/C13H9BrFN3O/c14-12-5-4-11(19-12)13-10(16)7-18(17-13)9-3-1-2-8(15)6-9/h1-7H,16H2
InChIKeyPEKXAFSIALDUMJ-UHFFFAOYSA-N
XLogP3.62
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine (CID 104653732) is 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2cccc(F)c2)nc1-c1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine?
The InChIKey is PEKXAFSIALDUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-12-5-4-11(19-12)13-10(16)7-18(17-13)9-3-1-2-8(15)6-9/h1-7H,16H2.
What are the key properties of 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine?
3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine has a molecular weight of 322.14 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-1-(3-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 104653732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).