1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine

C23H28FN3O — CID 57257884

IUPAC1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCC(Oc1cc(-c2ccccc2F)nn1C)N(C)CCc1cccc(C)c1
InChIInChI=1S/C23H28FN3O/c1-5-22(26(3)14-13-18-10-8-9-17(2)15-18)28-23-16-21(25-27(23)4)19-11-6-7-12-20(19)24/h6-12,15-16,22H,5,13-14H2,1-4H3
InChIKeyGQBULUJEPHXLJL-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.82
Rot. Bonds8

About 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine

1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 57257884) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID57257884
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCC(Oc1cc(-c2ccccc2F)nn1C)N(C)CCc1cccc(C)c1
InChIInChI=1S/C23H28FN3O/c1-5-22(26(3)14-13-18-10-8-9-17(2)15-18)28-23-16-21(25-27(23)4)19-11-6-7-12-20(19)24/h6-12,15-16,22H,5,13-14H2,1-4H3
InChIKeyGQBULUJEPHXLJL-UHFFFAOYSA-N
XLogP4.82
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine (CID 57257884) is 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine is CCC(Oc1cc(-c2ccccc2F)nn1C)N(C)CCc1cccc(C)c1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is GQBULUJEPHXLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-5-22(26(3)14-13-18-10-8-9-17(2)15-18)28-23-16-21(25-27(23)4)19-11-6-7-12-20(19)24/h6-12,15-16,22H,5,13-14H2,1-4H3.
What are the key properties of 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine?
1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 381.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]oxy-N-methyl-N-[2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 57257884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).