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1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine

C20H24FN3OS — CID 121417956

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine
SMILESCNC(COC(c1sccc1C)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C20H24FN3OS/c1-14-8-10-26-20(14)19(18-7-9-23-24(18)3)25-13-17(22-2)12-15-5-4-6-16(21)11-15/h4-11,17,19,22H,12-13H2,1-3H3
InChIKeyYLYDQCPWRLSGDB-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.87
Rot. Bonds8

About 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine

1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine (PubChem CID 121417956) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine
PubChem CID121417956
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine
SMILESCNC(COC(c1sccc1C)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C20H24FN3OS/c1-14-8-10-26-20(14)19(18-7-9-23-24(18)3)25-13-17(22-2)12-15-5-4-6-16(21)11-15/h4-11,17,19,22H,12-13H2,1-3H3
InChIKeyYLYDQCPWRLSGDB-UHFFFAOYSA-N
XLogP3.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine (CID 121417956) is 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine is CNC(COC(c1sccc1C)c1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine?
The InChIKey is YLYDQCPWRLSGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-14-8-10-26-20(14)19(18-7-9-23-24(18)3)25-13-17(22-2)12-15-5-4-6-16(21)11-15/h4-11,17,19,22H,12-13H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine?
1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine has a molecular weight of 373.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine is sourced from PubChem (CID 121417956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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