1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine

C13H16FN3O — CID 105025301

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccn(C)n2)ccc1F
InChIInChI=1S/C13H16FN3O/c1-17-6-5-10(16-17)8-12(15)9-3-4-11(14)13(7-9)18-2/h3-7,12H,8,15H2,1-2H3
InChIKeyDSNXCXCYYCTWTM-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.81
Rot. Bonds4

About 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine

1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025301) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025301
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccn(C)n2)ccc1F
InChIInChI=1S/C13H16FN3O/c1-17-6-5-10(16-17)8-12(15)9-3-4-11(14)13(7-9)18-2/h3-7,12H,8,15H2,1-2H3
InChIKeyDSNXCXCYYCTWTM-UHFFFAOYSA-N
XLogP1.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82868688
1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107538743
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
(4S)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol
CID 171225472
(4R)-4-amino-4-(4-fluoro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171205896
2-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 112693539
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025301) is 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine is COc1cc(C(N)Cc2ccn(C)n2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is DSNXCXCYYCTWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-6-5-10(16-17)8-12(15)9-3-4-11(14)13(7-9)18-2/h3-7,12H,8,15H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine?
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).