3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine

C15H11BrClN3 — CID 107988579

IUPAC3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)c(Br)c2)nn1-c1ccccc1
InChIInChI=1S/C15H11BrClN3/c16-12-8-10(6-7-13(12)17)14-9-15(18)20(19-14)11-4-2-1-3-5-11/h1-9H,18H2
InChIKeyBZOSEPYTBRVWIX-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.54
Rot. Bonds2

About 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine

3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine (PubChem CID 107988579) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
PubChem CID107988579
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccc(Cl)c(Br)c2)nn1-c1ccccc1
InChIInChI=1S/C15H11BrClN3/c16-12-8-10(6-7-13(12)17)14-9-15(18)20(19-14)11-4-2-1-3-5-11/h1-9H,18H2
InChIKeyBZOSEPYTBRVWIX-UHFFFAOYSA-N
XLogP4.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine (CID 107988579) is 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine is Nc1cc(-c2ccc(Cl)c(Br)c2)nn1-c1ccccc1.
What is the InChIKey of 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine?
The InChIKey is BZOSEPYTBRVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-12-8-10(6-7-13(12)17)14-9-15(18)20(19-14)11-4-2-1-3-5-11/h1-9H,18H2.
What are the key properties of 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine?
3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine has a molecular weight of 348.63 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-chlorophenyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 107988579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).