5-(4-benzylphenyl)-1H-pyrazol-3-amine

C16H15N3 — CID 3651142

IUPAC5-(4-benzylphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Cc3ccccc3)cc2)[nH]n1
InChIInChI=1S/C16H15N3/c17-16-11-15(18-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,17,18,19)
InChIKeyLFOFFPUXSXYQKD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.25
Rot. Bonds3

About 5-(4-benzylphenyl)-1H-pyrazol-3-amine

5-(4-benzylphenyl)-1H-pyrazol-3-amine (PubChem CID 3651142) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-(4-benzylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-benzylphenyl)-1H-pyrazol-3-amine
PubChem CID3651142
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-(4-benzylphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Cc3ccccc3)cc2)[nH]n1
InChIInChI=1S/C16H15N3/c17-16-11-15(18-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,17,18,19)
InChIKeyLFOFFPUXSXYQKD-UHFFFAOYSA-N
XLogP3.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-benzylphenyl)-1H-pyrazol-3-amine (CID 3651142) is 5-(4-benzylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-benzylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-benzylphenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(Cc3ccccc3)cc2)[nH]n1.
What is the InChIKey of 5-(4-benzylphenyl)-1H-pyrazol-3-amine?
The InChIKey is LFOFFPUXSXYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16-11-15(18-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,17,18,19).
What are the key properties of 5-(4-benzylphenyl)-1H-pyrazol-3-amine?
5-(4-benzylphenyl)-1H-pyrazol-3-amine has a molecular weight of 249.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 3651142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).