2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine

C17H24FN3 — CID 64800428

IUPAC2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCC(CC)n1ccc(CNCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H24FN3/c1-3-17(4-2)21-12-10-16(20-21)13-19-11-9-14-5-7-15(18)8-6-14/h5-8,10,12,17,19H,3-4,9,11,13H2,1-2H3
InChIKeyCLGASYLWXOCZLW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.72
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine (PubChem CID 64800428) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
PubChem CID64800428
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
SMILESCCC(CC)n1ccc(CNCCc2ccc(F)cc2)n1
InChIInChI=1S/C17H24FN3/c1-3-17(4-2)21-12-10-16(20-21)13-19-11-9-14-5-7-15(18)8-6-14/h5-8,10,12,17,19H,3-4,9,11,13H2,1-2H3
InChIKeyCLGASYLWXOCZLW-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
N-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethyl]methanesulfonamide
CID 64801421
3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
CID 106236870
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine (CID 64800428) is 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine is CCC(CC)n1ccc(CNCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is CLGASYLWXOCZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-3-17(4-2)21-12-10-16(20-21)13-19-11-9-14-5-7-15(18)8-6-14/h5-8,10,12,17,19H,3-4,9,11,13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 64800428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).