(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

C15H20FN3O — CID 104860855

IUPAC(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1c(CN[C@H](C)c2ccccc2F)c(C)nn1C
InChIInChI=1S/C15H20FN3O/c1-10(12-7-5-6-8-14(12)16)17-9-13-11(2)18-19(3)15(13)20-4/h5-8,10,17H,9H2,1-4H3/t10-/m1/s1
InChIKeyLDJUSBYXKYBYJU-SNVBAGLBSA-N
MW277.34 g/mol
LogP2.73
Rot. Bonds5

About (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine

(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 104860855) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID104860855
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOc1c(CN[C@H](C)c2ccccc2F)c(C)nn1C
InChIInChI=1S/C15H20FN3O/c1-10(12-7-5-6-8-14(12)16)17-9-13-11(2)18-19(3)15(13)20-4/h5-8,10,17H,9H2,1-4H3/t10-/m1/s1
InChIKeyLDJUSBYXKYBYJU-SNVBAGLBSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{5-[(2,5-difluorobenzyl)oxy]-1-(3,3-dimethylbutyl)-1H-pyrazol-3-yl}-N-methylmethanamine
CID 56601150
US11576897, Example 20
CID 56600157
US10183913, Example 31
CID 56600545
US10183913, Example 33
CID 56600546
US10183913, Example 144
CID 56600955
US10183913, Example 147
CID 56600958
US10183913, Example 269
CID 56601153
US10183913, Example 315
CID 56601348
US10183913, Example 258
CID 56601749
US10183913, Example 481
CID 56602155
US11576897, Example 295
CID 66664957
US11576897, Example 293
CID 66665530

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine (CID 104860855) is (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is COc1c(CN[C@H](C)c2ccccc2F)c(C)nn1C.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LDJUSBYXKYBYJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10(12-7-5-6-8-14(12)16)17-9-13-11(2)18-19(3)15(13)20-4/h5-8,10,17H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine?
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 104860855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).