1-(3-bromophenyl)pyrazol-4-amine

C9H8BrN3 — CID 43542774

IUPAC1-(3-bromophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccc(Br)c2)c1
InChIInChI=1S/C9H8BrN3/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H,11H2
InChIKeyOTKDCIGLWFHVKQ-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.22
Rot. Bonds1

About 1-(3-bromophenyl)pyrazol-4-amine

1-(3-bromophenyl)pyrazol-4-amine (PubChem CID 43542774) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)pyrazol-4-amine
PubChem CID43542774
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name1-(3-bromophenyl)pyrazol-4-amine
SMILESNc1cnn(-c2cccc(Br)c2)c1
InChIInChI=1S/C9H8BrN3/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H,11H2
InChIKeyOTKDCIGLWFHVKQ-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)pyrazol-4-amine (CID 43542774) is 1-(3-bromophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)pyrazol-4-amine is Nc1cnn(-c2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)pyrazol-4-amine?
The InChIKey is OTKDCIGLWFHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-2-1-3-9(4-7)13-6-8(11)5-12-13/h1-6H,11H2.
What are the key properties of 1-(3-bromophenyl)pyrazol-4-amine?
1-(3-bromophenyl)pyrazol-4-amine has a molecular weight of 238.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)pyrazol-4-amine is sourced from PubChem (CID 43542774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).