3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine

C15H20FN3O — CID 103932487

IUPAC3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H20FN3O/c1-5-13-14(9-19(3)18-13)17-10(2)11-6-7-12(16)15(8-11)20-4/h6-10,17H,5H2,1-4H3
InChIKeyHQUWCEQTGULVNU-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.30
Rot. Bonds5

About 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine

3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 103932487) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
PubChem CID103932487
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H20FN3O/c1-5-13-14(9-19(3)18-13)17-10(2)11-6-7-12(16)15(8-11)20-4/h6-10,17H,5H2,1-4H3
InChIKeyHQUWCEQTGULVNU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 136571896
3-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932597
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932643
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxypyridin-3-amine
CID 83075504
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
2-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine (CID 103932487) is 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)c1ccc(F)c(OC)c1.
What is the InChIKey of 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is HQUWCEQTGULVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-5-13-14(9-19(3)18-13)17-10(2)11-6-7-12(16)15(8-11)20-4/h6-10,17H,5H2,1-4H3.
What are the key properties of 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 277.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103932487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).