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

C13H9BrClN3O — CID 43381273

IUPAC3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)o2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClN3O/c14-12-6-5-11(19-12)10-7-13(16)18(17-10)9-3-1-8(15)2-4-9/h1-7H,16H2
InChIKeyVSJMEDPBYWDYFU-UHFFFAOYSA-N
MW338.59 g/mol
LogP4.13
Rot. Bonds2

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

3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine (PubChem CID 43381273) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine
PubChem CID43381273
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC Name3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1cc(-c2ccc(Br)o2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClN3O/c14-12-6-5-11(19-12)10-7-13(16)18(17-10)9-3-1-8(15)2-4-9/h1-7H,16H2
InChIKeyVSJMEDPBYWDYFU-UHFFFAOYSA-N
XLogP4.13
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 54.13
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-(4-chlorophenyl)pyrazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine (CID 43381273) is 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine is Nc1cc(-c2ccc(Br)o2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine?
The InChIKey is VSJMEDPBYWDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c14-12-6-5-11(19-12)10-7-13(16)18(17-10)9-3-1-8(15)2-4-9/h1-7H,16H2.
What are the key properties of 3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine?
3-(5-bromofuran-2-yl)-1-(4-chlorophenyl)pyrazol-5-amine has a molecular weight of 338.59 g/mol, XLogP of 4.13, 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-(4-chlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 43381273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).