1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine

C13H16FN3O — CID 114255322

IUPAC1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(OC)n(C)n1
InChIInChI=1S/C13H16FN3O/c1-15-13(9-4-6-10(14)7-5-9)11-8-12(18-3)17(2)16-11/h4-8,13,15H,1-3H3
InChIKeyLMLWVSVZERBQDC-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine

1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 114255322) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
PubChem CID114255322
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1)c1cc(OC)n(C)n1
InChIInChI=1S/C13H16FN3O/c1-15-13(9-4-6-10(14)7-5-9)11-8-12(18-3)17(2)16-11/h4-8,13,15H,1-3H3
InChIKeyLMLWVSVZERBQDC-UHFFFAOYSA-N
XLogP1.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine (CID 114255322) is 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine is CNC(c1ccc(F)cc1)c1cc(OC)n(C)n1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is LMLWVSVZERBQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-15-13(9-4-6-10(14)7-5-9)11-8-12(18-3)17(2)16-11/h4-8,13,15H,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine?
1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 114255322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).