1-benzyl-3-(3-bromophenyl)pyrazol-5-amine

C16H14BrN3 — CID 563996

IUPAC1-benzyl-3-(3-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1Cc1ccccc1
InChIInChI=1S/C16H14BrN3/c17-14-8-4-7-13(9-14)15-10-16(18)20(19-15)11-12-5-2-1-3-6-12/h1-10H,11,18H2
InChIKeyMZLZAPCURITIDY-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.94
Rot. Bonds3

About 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine

1-benzyl-3-(3-bromophenyl)pyrazol-5-amine (PubChem CID 563996) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-(3-bromophenyl)pyrazol-5-amine
PubChem CID563996
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-benzyl-3-(3-bromophenyl)pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1Cc1ccccc1
InChIInChI=1S/C16H14BrN3/c17-14-8-4-7-13(9-14)15-10-16(18)20(19-15)11-12-5-2-1-3-6-12/h1-10H,11,18H2
InChIKeyMZLZAPCURITIDY-UHFFFAOYSA-N
XLogP3.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine?
The IUPAC name of 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine (CID 563996) is 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine is Nc1cc(-c2cccc(Br)c2)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine?
The InChIKey is MZLZAPCURITIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-14-8-4-7-13(9-14)15-10-16(18)20(19-15)11-12-5-2-1-3-6-12/h1-10H,11,18H2.
What are the key properties of 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine?
1-benzyl-3-(3-bromophenyl)pyrazol-5-amine has a molecular weight of 328.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-bromophenyl)pyrazol-5-amine is sourced from PubChem (CID 563996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).