1-(5-bromo-2-chlorophenyl)pyrazol-3-amine

C9H7BrClN3 — CID 102942859

IUPAC1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C9H7BrClN3/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyFOXISYQVDFDVQX-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.87
Rot. Bonds1

About 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine

1-(5-bromo-2-chlorophenyl)pyrazol-3-amine (PubChem CID 102942859) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
PubChem CID102942859
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2cc(Br)ccc2Cl)n1
InChIInChI=1S/C9H7BrClN3/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13)
InChIKeyFOXISYQVDFDVQX-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine (CID 102942859) is 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine is Nc1ccn(-c2cc(Br)ccc2Cl)n1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine?
The InChIKey is FOXISYQVDFDVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-6-1-2-7(11)8(5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine?
1-(5-bromo-2-chlorophenyl)pyrazol-3-amine has a molecular weight of 272.53 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)pyrazol-3-amine is sourced from PubChem (CID 102942859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).