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

C18H18FN3 — CID 68650272

IUPAC1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCNC(Cc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3/c1-20-18(15-6-8-17(19)9-7-15)10-13-2-4-14(5-3-13)16-11-21-22-12-16/h2-9,11-12,18,20H,10H2,1H3,(H,21,22)
InChIKeyZLUUQKLYKKENHC-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.72
Rot. Bonds5

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

1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 68650272) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID68650272
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCNC(Cc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3/c1-20-18(15-6-8-17(19)9-7-15)10-13-2-4-14(5-3-13)16-11-21-22-12-16/h2-9,11-12,18,20H,10H2,1H3,(H,21,22)
InChIKeyZLUUQKLYKKENHC-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (CID 68650272) is 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is CNC(Cc1ccc(-c2cn[nH]c2)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is ZLUUQKLYKKENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-20-18(15-6-8-17(19)9-7-15)10-13-2-4-14(5-3-13)16-11-21-22-12-16/h2-9,11-12,18,20H,10H2,1H3,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 295.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 68650272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).