1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C17H24FN3 — CID 104991712

IUPAC1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2cc(C)ccc2F)n1
InChIInChI=1S/C17H24FN3/c1-4-14(5-2)21-9-8-13(20-21)11-17(19)15-10-12(3)6-7-16(15)18/h6-10,14,17H,4-5,11,19H2,1-3H3
InChIKeyPRAMEZZMTQXVPS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.93
Rot. Bonds6

About 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991712) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991712
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(N)c2cc(C)ccc2F)n1
InChIInChI=1S/C17H24FN3/c1-4-14(5-2)21-9-8-13(20-21)11-17(19)15-10-12(3)6-7-16(15)18/h6-10,14,17H,4-5,11,19H2,1-3H3
InChIKeyPRAMEZZMTQXVPS-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
1-(2,5-dimethylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990024
1-(3,4-dimethylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991711
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64786047
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061
1-(3,5-dichloro-2-pyridinyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 79783320
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641
1-(2-amino-5-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 82683168
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 103406335
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propanenitrile
CID 55275953

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991712) is 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(N)c2cc(C)ccc2F)n1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is PRAMEZZMTQXVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-14(5-2)21-9-8-13(20-21)11-17(19)15-10-12(3)6-7-16(15)18/h6-10,14,17H,4-5,11,19H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).