[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine

C₁₇H₁₉N₃ — CID 155103964

About [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine

[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine (PubChem CID 155103964) has the molecular formula C₁₇H₁₉N₃ and a molecular weight of 265.36 g/mol. Its IUPAC name is [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine.

Molecular Properties

• Compound Name: [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
• PubChem CID: 155103964
• Molecular Formula: C₁₇H₁₉N₃
• Molecular Weight: 265.36 g/mol
• Exact Mass: 265.16
• IUPAC Name: [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
• SMILES: Cn1nc(CN)cc1CCc1ccc2ccccc2c1
• InChI: InChI=1S/C17H19N3/c1-20-17(11-16(12-18)19-20)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-6,8,10-11H,7,9,12,18H2,1H3
• InChIKey: NKEXENRKFLQMRW-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 43.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.36
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?

The IUPAC name of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine (CID 155103964) is [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine.

What is the SMILES notation for [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?

The canonical SMILES for [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine is Cn1nc(CN)cc1CCc1ccc2ccccc2c1.

What is the InChIKey of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?

The InChIKey is NKEXENRKFLQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-20-17(11-16(12-18)19-20)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-6,8,10-11H,7,9,12,18H2,1H3.

What are the key properties of [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine?

[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 155103964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155103964 — identifiers, structure, computed properties (public domain)

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