2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine

C16H22FN3 — CID 105001646

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(C)cc2F)n(CC)n1
InChIInChI=1S/C16H22FN3/c1-4-12-9-13(20(5-2)19-12)10-16(18)14-7-6-11(3)8-15(14)17/h6-9,16H,4-5,10,18H2,1-3H3
InChIKeyBFUONJSISKMPQK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.16
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine (PubChem CID 105001646) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
PubChem CID105001646
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(C)cc2F)n(CC)n1
InChIInChI=1S/C16H22FN3/c1-4-12-9-13(20(5-2)19-12)10-16(18)14-7-6-11(3)8-15(14)17/h6-9,16H,4-5,10,18H2,1-3H3
InChIKeyBFUONJSISKMPQK-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)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

2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105161642
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001602
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550
2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105001763
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
1-(2-bromo-4-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105001613
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
CID 79025599
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine (CID 105001646) is 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine is CCc1cc(CC(N)c2ccc(C)cc2F)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine?
The InChIKey is BFUONJSISKMPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-12-9-13(20(5-2)19-12)10-16(18)14-7-6-11(3)8-15(14)17/h6-9,16H,4-5,10,18H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 105001646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).