1-benzyl-3-phenylpyrazol-5-amine

C16H15N3 — CID 684746

IUPAC1-benzyl-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2
InChIKeyXMEAHPOVYFOANY-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.18
Rot. Bonds3

About 1-benzyl-3-phenylpyrazol-5-amine

1-benzyl-3-phenylpyrazol-5-amine (PubChem CID 684746) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-benzyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-phenylpyrazol-5-amine
PubChem CID684746
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-benzyl-3-phenylpyrazol-5-amine
SMILESNc1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2
InChIKeyXMEAHPOVYFOANY-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-benzyl-3-phenylpyrazol-5-amine (CID 684746) is 1-benzyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-benzyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-benzyl-3-phenylpyrazol-5-amine is Nc1cc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylpyrazol-5-amine?
The InChIKey is XMEAHPOVYFOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13/h1-11H,12,17H2.
What are the key properties of 1-benzyl-3-phenylpyrazol-5-amine?
1-benzyl-3-phenylpyrazol-5-amine has a molecular weight of 249.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 684746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).