1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine

C16H22FN3 — CID 82700524

IUPAC1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
SMILESCCc1cc(CC)n(-c2ccc(F)cc2CC(C)N)n1
InChIInChI=1S/C16H22FN3/c1-4-14-10-15(5-2)20(19-14)16-7-6-13(17)9-12(16)8-11(3)18/h6-7,9-11H,4-5,8,18H2,1-3H3
InChIKeyXBMWMHGNEQUKDO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.03
Rot. Bonds5

About 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine

1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine (PubChem CID 82700524) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
PubChem CID82700524
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
SMILESCCc1cc(CC)n(-c2ccc(F)cc2CC(C)N)n1
InChIInChI=1S/C16H22FN3/c1-4-14-10-15(5-2)20(19-14)16-7-6-13(17)9-12(16)8-11(3)18/h6-7,9-11H,4-5,8,18H2,1-3H3
InChIKeyXBMWMHGNEQUKDO-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine 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-[[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 82698530
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023
[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 82696807
4-(3,5-diethylpyrazol-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 82692657
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
(1R)-1-[4-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694547
4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
CID 45095734

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine (CID 82700524) is 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine is CCc1cc(CC)n(-c2ccc(F)cc2CC(C)N)n1.
What is the InChIKey of 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine?
The InChIKey is XBMWMHGNEQUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-14-10-15(5-2)20(19-14)16-7-6-13(17)9-12(16)8-11(3)18/h6-7,9-11H,4-5,8,18H2,1-3H3.
What are the key properties of 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine?
1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 82700524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).