N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

C13H22F3N3 — CID 105174254

IUPACN-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1c(C)nn(C)c1C
InChIInChI=1S/C13H22F3N3/c1-5-17-11(7-6-8-13(14,15)16)12-9(2)18-19(4)10(12)3/h11,17H,5-8H2,1-4H3
InChIKeyWWOJIIYUUGREOH-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.42
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 105174254) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
PubChem CID105174254
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1c(C)nn(C)c1C
InChIInChI=1S/C13H22F3N3/c1-5-17-11(7-6-8-13(14,15)16)12-9(2)18-19(4)10(12)3/h11,17H,5-8H2,1-4H3
InChIKeyWWOJIIYUUGREOH-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105137835
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105156786
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105120573
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090
1-(1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 102804304
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105179874

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (CID 105174254) is N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is CCNC(CCCC(F)(F)F)c1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is WWOJIIYUUGREOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-5-17-11(7-6-8-13(14,15)16)12-9(2)18-19(4)10(12)3/h11,17H,5-8H2,1-4H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105174254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).