2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

C18H18FN3 — CID 11770884

IUPAC2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCNCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18FN3/c1-20-12-18(15-6-8-17(19)9-7-15)14-4-2-13(3-5-14)16-10-21-22-11-16/h2-11,18,20H,12H2,1H3,(H,21,22)
InChIKeyRQEUDJXTUCAVAA-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 11770884) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID11770884
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCNCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18FN3/c1-20-12-18(15-6-8-17(19)9-7-15)14-4-2-13(3-5-14)16-10-21-22-11-16/h2-11,18,20H,12H2,1H3,(H,21,22)
InChIKeyRQEUDJXTUCAVAA-UHFFFAOYSA-N
XLogP3.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (CID 11770884) is 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is CNCC(c1ccc(F)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is RQEUDJXTUCAVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-20-12-18(15-6-8-17(19)9-7-15)14-4-2-13(3-5-14)16-10-21-22-11-16/h2-11,18,20H,12H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 295.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 11770884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).