1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine

C20H28FN3O — CID 56718166

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCc1cc(C)n(CC(C)NCC2(c3cccc(F)c3)CCOCC2)n1
InChIInChI=1S/C20H28FN3O/c1-15-11-17(3)24(23-15)13-16(2)22-14-20(7-9-25-10-8-20)18-5-4-6-19(21)12-18/h4-6,11-12,16,22H,7-10,13-14H2,1-3H3
InChIKeyJFPFENCUSIZSIG-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.37
Rot. Bonds6

About 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 56718166) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID56718166
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCc1cc(C)n(CC(C)NCC2(c3cccc(F)c3)CCOCC2)n1
InChIInChI=1S/C20H28FN3O/c1-15-11-17(3)24(23-15)13-16(2)22-14-20(7-9-25-10-8-20)18-5-4-6-19(21)12-18/h4-6,11-12,16,22H,7-10,13-14H2,1-3H3
InChIKeyJFPFENCUSIZSIG-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine (CID 56718166) is 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine is Cc1cc(C)n(CC(C)NCC2(c3cccc(F)c3)CCOCC2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is JFPFENCUSIZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-15-11-17(3)24(23-15)13-16(2)22-14-20(7-9-25-10-8-20)18-5-4-6-19(21)12-18/h4-6,11-12,16,22H,7-10,13-14H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 345.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 56718166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).