2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine

C20H22FN3 — CID 83986500

IUPAC2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1
InChIInChI=1S/C20H22FN3/c1-3-14-4-6-15(7-5-14)18(13-22)20-12-19(23-24(20)2)16-8-10-17(21)11-9-16/h4-12,18H,3,13,22H2,1-2H3
InChIKeyARDLULGQXADIMP-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine

2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (PubChem CID 83986500) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
PubChem CID83986500
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1
InChIInChI=1S/C20H22FN3/c1-3-14-4-6-15(7-5-14)18(13-22)20-12-19(23-24(20)2)16-8-10-17(21)11-9-16/h4-12,18H,3,13,22H2,1-2H3
InChIKeyARDLULGQXADIMP-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The IUPAC name of 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (CID 83986500) is 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is CCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The InChIKey is ARDLULGQXADIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-3-14-4-6-15(7-5-14)18(13-22)20-12-19(23-24(20)2)16-8-10-17(21)11-9-16/h4-12,18H,3,13,22H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine has a molecular weight of 323.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is sourced from PubChem (CID 83986500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).