5-benzyl-4-phenyl-1H-pyrazol-3-amine

C16H15N3 — CID 6456516

IUPAC5-benzyl-4-phenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H15N3/c17-16-15(13-9-5-2-6-10-13)14(18-19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19)
InChIKeyMLLLVRBYNSVZFT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.25
Rot. Bonds3

About 5-benzyl-4-phenyl-1H-pyrazol-3-amine

5-benzyl-4-phenyl-1H-pyrazol-3-amine (PubChem CID 6456516) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-benzyl-4-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-benzyl-4-phenyl-1H-pyrazol-3-amine
PubChem CID6456516
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-benzyl-4-phenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H15N3/c17-16-15(13-9-5-2-6-10-13)14(18-19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19)
InChIKeyMLLLVRBYNSVZFT-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-benzyl-4-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-benzyl-4-phenyl-1H-pyrazol-3-amine (CID 6456516) is 5-benzyl-4-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-benzyl-4-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-benzyl-4-phenyl-1H-pyrazol-3-amine is Nc1n[nH]c(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-benzyl-4-phenyl-1H-pyrazol-3-amine?
The InChIKey is MLLLVRBYNSVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16-15(13-9-5-2-6-10-13)14(18-19-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19).
What are the key properties of 5-benzyl-4-phenyl-1H-pyrazol-3-amine?
5-benzyl-4-phenyl-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-benzyl-4-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 6456516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).