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

C17H24FN3 — CID 64785500

IUPAC1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2ccc(F)cc2)n1
InChIInChI=1S/C17H24FN3/c1-4-16(5-2)21-11-10-15(20-21)12-17(19-3)13-6-8-14(18)9-7-13/h6-11,16-17,19H,4-5,12H2,1-3H3
InChIKeyWHACZODHQBRVPN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.89
Rot. Bonds7

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

1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 64785500) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID64785500
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2ccc(F)cc2)n1
InChIInChI=1S/C17H24FN3/c1-4-16(5-2)21-11-10-15(20-21)12-17(19-3)13-6-8-14(18)9-7-13/h6-11,16-17,19H,4-5,12H2,1-3H3
InChIKeyWHACZODHQBRVPN-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)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

1-(3-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785502
1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 105155766
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 64785855
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
CID 64777619
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 64785858
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 106692263
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105154754
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991694

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 64785500) is 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(NC)c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is WHACZODHQBRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-16(5-2)21-11-10-15(20-21)12-17(19-3)13-6-8-14(18)9-7-13/h6-11,16-17,19H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64785500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).