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

C20H22FN3 — CID 83986428

IUPAC2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1C
InChIInChI=1S/C20H22FN3/c1-13-4-5-16(10-14(13)2)18(12-22)20-11-19(23-24(20)3)15-6-8-17(21)9-7-15/h4-11,18H,12,22H2,1-3H3
InChIKeyWABSLTLBGITZFH-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.93
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (PubChem CID 83986428) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
PubChem CID83986428
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1C
InChIInChI=1S/C20H22FN3/c1-13-4-5-16(10-14(13)2)18(12-22)20-11-19(23-24(20)3)15-6-8-17(21)9-7-15/h4-11,18H,12,22H2,1-3H3
InChIKeyWABSLTLBGITZFH-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (CID 83986428) is 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is Cc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The InChIKey is WABSLTLBGITZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-13-4-5-16(10-14(13)2)18(12-22)20-11-19(23-24(20)3)15-6-8-17(21)9-7-15/h4-11,18H,12,22H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine has a molecular weight of 323.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is sourced from PubChem (CID 83986428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).