N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine

C12H20F3N3 — CID 105156471

IUPACN-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cc(C)nn1CC
InChIInChI=1S/C12H20F3N3/c1-4-16-10(6-7-12(13,14)15)11-8-9(3)17-18(11)5-2/h8,10,16H,4-7H2,1-3H3
InChIKeyYGNGNZYYYVYHBG-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.20
Rot. Bonds6

About N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine

N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 105156471) has the molecular formula C12H20F3N3 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID105156471
Molecular FormulaC12H20F3N3
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC NameN-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1cc(C)nn1CC
InChIInChI=1S/C12H20F3N3/c1-4-16-10(6-7-12(13,14)15)11-8-9(3)17-18(11)5-2/h8,10,16H,4-7H2,1-3H3
InChIKeyYGNGNZYYYVYHBG-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053
2-(3,4-difluorophenyl)-N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105176065
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031164
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030441
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107708
[1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313929
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174359
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79953771
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine (CID 105156471) is N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1cc(C)nn1CC.
What is the InChIKey of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is YGNGNZYYYVYHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3/c1-4-16-10(6-7-12(13,14)15)11-8-9(3)17-18(11)5-2/h8,10,16H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine?
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 105156471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).