N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine

C18H19N3 — CID 155544828

IUPACN-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine
SMILESc1ccc(CNCCn2ccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3/c1-3-7-16(8-4-1)15-19-12-14-21-13-11-18(20-21)17-9-5-2-6-10-17/h1-11,13,19H,12,14-15H2
InChIKeyQVNYLRLYABRKPP-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.34
Rot. Bonds6

About N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine

N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine (PubChem CID 155544828) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine
PubChem CID155544828
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine
SMILESc1ccc(CNCCn2ccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H19N3/c1-3-7-16(8-4-1)15-19-12-14-21-13-11-18(20-21)17-9-5-2-6-10-17/h1-11,13,19H,12,14-15H2
InChIKeyQVNYLRLYABRKPP-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine?
The IUPAC name of N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine (CID 155544828) is N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine is c1ccc(CNCCn2ccc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine?
The InChIKey is QVNYLRLYABRKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-7-16(8-4-1)15-19-12-14-21-13-11-18(20-21)17-9-5-2-6-10-17/h1-11,13,19H,12,14-15H2.
What are the key properties of N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine?
N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-phenylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 155544828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).