1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

C15H26F3N3 — CID 105174359

IUPAC1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc(CC)nn1CC
InChIInChI=1S/C15H26F3N3/c1-4-10-19-13(8-7-9-15(16,17)18)14-11-12(5-2)20-21(14)6-3/h11,13,19H,4-10H2,1-3H3
InChIKeyNEUYBGGQZOOPHW-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.24
Rot. Bonds9

About 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 105174359) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID105174359
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc(CC)nn1CC
InChIInChI=1S/C15H26F3N3/c1-4-10-19-13(8-7-9-15(16,17)18)14-11-12(5-2)20-21(14)6-3/h11,13,19H,4-10H2,1-3H3
InChIKeyNEUYBGGQZOOPHW-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-5-methyl-N-propylhexan-1-amine
CID 105177082
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
N-[2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)ethyl]propan-1-amine
CID 105135714
1-(1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 102804304
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4,4,4-trifluorobutan-1-amine
CID 105156471
N-[cyclopropyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105157194
1-(1,3-diethylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185039
N-[(1,3-diethylpyrazol-5-yl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 105149786
1-(2-ethyl-5-methylpyrazol-3-yl)-5,5,5-trifluoropentan-1-amine
CID 105174400
1-(2,6-difluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517335
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79953771
N-[cyclohexyl-(1,3-diethylpyrazol-5-yl)methyl]propan-1-amine
CID 105079721

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 105174359) is 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is NEUYBGGQZOOPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3/c1-4-10-19-13(8-7-9-15(16,17)18)14-11-12(5-2)20-21(14)6-3/h11,13,19H,4-10H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 305.39 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 105174359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).