N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine

C16H22FN3 — CID 115885783

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H22FN3/c1-5-16-14(10-20(4)19-16)9-18-12(3)13-7-6-11(2)15(17)8-13/h6-8,10,12,18H,5,9H2,1-4H3
InChIKeyZLKQIRXEXGIMCJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.28
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 115885783) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID115885783
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H22FN3/c1-5-16-14(10-20(4)19-16)9-18-12(3)13-7-6-11(2)15(17)8-13/h6-8,10,12,18H,5,9H2,1-4H3
InChIKeyZLKQIRXEXGIMCJ-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112549217
[(3-ethyl-1-methylpyrazol-4-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131050
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
2-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-4-fluorophenol
CID 115989312
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)ethanamine
CID 115885467
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103894057
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 115888663
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 102812296
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine (CID 115885783) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine is CCc1nn(C)cc1CNC(C)c1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is ZLKQIRXEXGIMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-5-16-14(10-20(4)19-16)9-18-12(3)13-7-6-11(2)15(17)8-13/h6-8,10,12,18H,5,9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 115885783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).