N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine

C12H20F3N3O — CID 114658002

IUPACN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1c(OC)cnn1CC
InChIInChI=1S/C12H20F3N3O/c1-4-16-9(6-7-12(13,14)15)11-10(19-3)8-17-18(11)5-2/h8-9,16H,4-7H2,1-3H3
InChIKeyVLKYRZIPGUJFOI-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.90
Rot. Bonds7

About N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 114658002) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID114658002
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
SMILESCCNC(CCC(F)(F)F)c1c(OC)cnn1CC
InChIInChI=1S/C12H20F3N3O/c1-4-16-9(6-7-12(13,14)15)11-10(19-3)8-17-18(11)5-2/h8-9,16H,4-7H2,1-3H3
InChIKeyVLKYRZIPGUJFOI-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114660885
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
1-(1-ethyl-4-methoxypyrazol-5-yl)pentylhydrazine
CID 105245644
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine (CID 114658002) is N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine is CCNC(CCC(F)(F)F)c1c(OC)cnn1CC.
What is the InChIKey of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is VLKYRZIPGUJFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-4-16-9(6-7-12(13,14)15)11-10(19-3)8-17-18(11)5-2/h8-9,16H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine?
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 114658002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).