4-bromo-1-(4-chlorophenyl)pyrazol-3-amine

C9H7BrClN3 — CID 83867278

IUPAC4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
SMILESNc1nn(-c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C9H7BrClN3/c10-8-5-14(13-9(8)12)7-3-1-6(11)2-4-7/h1-5H,(H2,12,13)
InChIKeyPZQNOYLBPUXGBQ-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.87
Rot. Bonds1

About 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine

4-bromo-1-(4-chlorophenyl)pyrazol-3-amine (PubChem CID 83867278) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
PubChem CID83867278
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name4-bromo-1-(4-chlorophenyl)pyrazol-3-amine
SMILESNc1nn(-c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C9H7BrClN3/c10-8-5-14(13-9(8)12)7-3-1-6(11)2-4-7/h1-5H,(H2,12,13)
InChIKeyPZQNOYLBPUXGBQ-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 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine (CID 83867278) is 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine is Nc1nn(-c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine?
The InChIKey is PZQNOYLBPUXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-8-5-14(13-9(8)12)7-3-1-6(11)2-4-7/h1-5H,(H2,12,13).
What are the key properties of 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine?
4-bromo-1-(4-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 4-bromo-1-(4-chlorophenyl)pyrazol-3-amine is sourced from PubChem (CID 83867278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).