1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine

C13H9BrClN3S — CID 114082882

IUPAC1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1-c1csc(Cl)c1
InChIInChI=1S/C13H9BrClN3S/c14-9-3-1-2-4-11(9)18-6-10(16)13(17-18)8-5-12(15)19-7-8/h1-7H,16H2
InChIKeyVAJKZBUXXTWSAF-UHFFFAOYSA-N
MW354.66 g/mol
LogP4.60
Rot. Bonds2

About 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine

1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine (PubChem CID 114082882) has the molecular formula C13H9BrClN3S and a molecular weight of 354.66 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
PubChem CID114082882
Molecular FormulaC13H9BrClN3S
Molecular Weight354.66 g/mol
Exact Mass352.94
IUPAC Name1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine
SMILESNc1cn(-c2ccccc2Br)nc1-c1csc(Cl)c1
InChIInChI=1S/C13H9BrClN3S/c14-9-3-1-2-4-11(9)18-6-10(16)13(17-18)8-5-12(15)19-7-8/h1-7H,16H2
InChIKeyVAJKZBUXXTWSAF-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine (CID 114082882) is 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine is Nc1cn(-c2ccccc2Br)nc1-c1csc(Cl)c1.
What is the InChIKey of 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine?
The InChIKey is VAJKZBUXXTWSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3S/c14-9-3-1-2-4-11(9)18-6-10(16)13(17-18)8-5-12(15)19-7-8/h1-7H,16H2.
What are the key properties of 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine?
1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine has a molecular weight of 354.66 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(5-chlorothiophen-3-yl)pyrazol-4-amine is sourced from PubChem (CID 114082882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).