2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine

C15H20FN3O — CID 81304748

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1ccc(OC)cc1F
InChIInChI=1S/C15H20FN3O/c1-10-7-11(19(3)18-10)8-15(17-2)13-6-5-12(20-4)9-14(13)16/h5-7,9,15,17H,8H2,1-4H3
InChIKeyYFLGCGWWBKGAGS-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.38
Rot. Bonds5

About 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine (PubChem CID 81304748) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
PubChem CID81304748
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)nn1C)c1ccc(OC)cc1F
InChIInChI=1S/C15H20FN3O/c1-10-7-11(19(3)18-10)8-15(17-2)13-6-5-12(20-4)9-14(13)16/h5-7,9,15,17H,8H2,1-4H3
InChIKeyYFLGCGWWBKGAGS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996375
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 102883527
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
1-(2-fluoro-4-methoxyphenyl)-N,5-dimethylhexan-1-amine
CID 83162028

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine (CID 81304748) is 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine is CNC(Cc1cc(C)nn1C)c1ccc(OC)cc1F.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine?
The InChIKey is YFLGCGWWBKGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10-7-11(19(3)18-10)8-15(17-2)13-6-5-12(20-4)9-14(13)16/h5-7,9,15,17H,8H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 81304748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).