3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine

C13H9BrClN5 — CID 43435972

IUPAC3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C13H9BrClN5/c14-9-3-1-2-8(6-9)10-7-12(16)20(19-10)13-5-4-11(15)17-18-13/h1-7H,16H2
InChIKeyRZWTXUCQNHZVFM-UHFFFAOYSA-N
MW350.61 g/mol
LogP3.33
Rot. Bonds2

About 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine

3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine (PubChem CID 43435972) has the molecular formula C13H9BrClN5 and a molecular weight of 350.61 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
PubChem CID43435972
Molecular FormulaC13H9BrClN5
Molecular Weight350.61 g/mol
Exact Mass348.97
IUPAC Name3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1-c1ccc(Cl)nn1
InChIInChI=1S/C13H9BrClN5/c14-9-3-1-2-8(6-9)10-7-12(16)20(19-10)13-5-4-11(15)17-18-13/h1-7H,16H2
InChIKeyRZWTXUCQNHZVFM-UHFFFAOYSA-N
XLogP3.33
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine
CID 43381319
3-(3-bromophenyl)-1-(3,4-dichlorophenyl)pyrazol-5-amine
CID 43435966
1-(6-chloropyridazin-3-yl)-3-thiophen-2-ylpyrazol-5-amine
CID 43381316
3-(3-bromophenyl)-1-(2,4-dimethylphenyl)pyrazol-5-amine
CID 43436058
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
3-(3-bromophenyl)-1-propylpyrazol-5-amine
CID 61265517
3-(3-chlorophenyl)-1-pyrazin-2-ylpyrazol-5-amine
CID 81043369
1-(2-bromophenyl)-3-(4-chlorophenyl)pyrazol-5-amine
CID 43542919
3-(6-chloropyridazin-3-yl)aniline
CID 14280295
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636
3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
CID 107988579

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine (CID 43435972) is 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine is Nc1cc(-c2cccc(Br)c2)nn1-c1ccc(Cl)nn1.
What is the InChIKey of 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
The InChIKey is RZWTXUCQNHZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5/c14-9-3-1-2-8(6-9)10-7-12(16)20(19-10)13-5-4-11(15)17-18-13/h1-7H,16H2.
What are the key properties of 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine?
3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine has a molecular weight of 350.61 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43435972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).