N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine

C16H22FN3 — CID 62126626

IUPACN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H22FN3/c1-4-18-16(9-13-10-19-20(5-2)11-13)14-6-7-15(17)12(3)8-14/h6-8,10-11,16,18H,4-5,9H2,1-3H3
InChIKeyYEEYCGNJNVDLQD-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.24
Rot. Bonds6

About N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine (PubChem CID 62126626) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
PubChem CID62126626
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H22FN3/c1-4-18-16(9-13-10-19-20(5-2)11-13)14-6-7-15(17)12(3)8-14/h6-8,10-11,16,18H,4-5,9H2,1-3H3
InChIKeyYEEYCGNJNVDLQD-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126627
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822325
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822270
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105114831
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine (CID 62126626) is N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine is CCNC(Cc1cnn(CC)c1)c1ccc(F)c(C)c1.
What is the InChIKey of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine?
The InChIKey is YEEYCGNJNVDLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-18-16(9-13-10-19-20(5-2)11-13)14-6-7-15(17)12(3)8-14/h6-8,10-11,16,18H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine?
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 62126626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).