(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine

C15H20FN3 — CID 55189262

IUPAC(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCCc1c(C)nn(-c2ccc([C@H](C)N)cc2F)c1C
InChIInChI=1S/C15H20FN3/c1-5-13-10(3)18-19(11(13)4)15-7-6-12(9(2)17)8-14(15)16/h6-9H,5,17H2,1-4H3/t9-/m0/s1
InChIKeyFJCAMKZZKWGEJD-VIFPVBQESA-N
MW261.34 g/mol
LogP3.21
Rot. Bonds3

About (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine

(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine (PubChem CID 55189262) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
PubChem CID55189262
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
SMILESCCc1c(C)nn(-c2ccc([C@H](C)N)cc2F)c1C
InChIInChI=1S/C15H20FN3/c1-5-13-10(3)18-19(11(13)4)15-7-6-12(9(2)17)8-14(15)16/h6-9H,5,17H2,1-4H3/t9-/m0/s1
InChIKeyFJCAMKZZKWGEJD-VIFPVBQESA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]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

(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 78937665
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 61236697
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 79170217
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
1-[3,5-dimethyl-1-(2,4,5-trifluorophenyl)pyrazol-4-yl]propan-2-amine
CID 79218291
1-[5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862477
5-bromo-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-fluoroaniline
CID 66112125
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
(1S)-1-[4-(2-ethylimidazol-1-yl)-3-fluorophenyl]ethanamine
CID 55182802
5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844619
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 62130026

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine (CID 55189262) is (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine is CCc1c(C)nn(-c2ccc([C@H](C)N)cc2F)c1C.
What is the InChIKey of (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
The InChIKey is FJCAMKZZKWGEJD-VIFPVBQESA-N. The full InChI is InChI=1S/C15H20FN3/c1-5-13-10(3)18-19(11(13)4)15-7-6-12(9(2)17)8-14(15)16/h6-9H,5,17H2,1-4H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine?
(1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 55189262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).