3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine

C14H18FN3O — CID 22902341

IUPAC3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
SMILESCNCCCOc1cc(-c2ccccc2F)nn1C
InChIInChI=1S/C14H18FN3O/c1-16-8-5-9-19-14-10-13(17-18(14)2)11-6-3-4-7-12(11)15/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyIFPDLABBJXBBSU-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.21
Rot. Bonds6

About 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine

3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine (PubChem CID 22902341) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
PubChem CID22902341
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine
SMILESCNCCCOc1cc(-c2ccccc2F)nn1C
InChIInChI=1S/C14H18FN3O/c1-16-8-5-9-19-14-10-13(17-18(14)2)11-6-3-4-7-12(11)15/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyIFPDLABBJXBBSU-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine (CID 22902341) is 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine is CNCCCOc1cc(-c2ccccc2F)nn1C.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
The InChIKey is IFPDLABBJXBBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-8-5-9-19-14-10-13(17-18(14)2)11-6-3-4-7-12(11)15/h3-4,6-7,10,16H,5,8-9H2,1-2H3.
What are the key properties of 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine?
3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine has a molecular weight of 263.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 22902341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).