N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

C13H22F3N3 — CID 79953927

IUPACN-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H22F3N3/c1-4-17-11(5-7-13(14,15)16)9-12-6-8-19(18-12)10(2)3/h6,8,10-11,17H,4-5,7,9H2,1-3H3
InChIKeyMCYGILIFJAAAQR-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 79953927) 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-propan-2-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
PubChem CID79953927
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H22F3N3/c1-4-17-11(5-7-13(14,15)16)9-12-6-8-19(18-12)10(2)3/h6,8,10-11,17H,4-5,7,9H2,1-3H3
InChIKeyMCYGILIFJAAAQR-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154886
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
[1-(1-butan-2-ylpyrazol-3-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105249025
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N-ethyl-1-(1-propan-2-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105154970
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyloctan-2-amine
CID 104989660
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79953771
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (CID 79953927) is N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is CCNC(CCC(F)(F)F)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is MCYGILIFJAAAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-4-17-11(5-7-13(14,15)16)9-12-6-8-19(18-12)10(2)3/h6,8,10-11,17H,4-5,7,9H2,1-3H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 277.33 g/mol, XLogP of 3.33, 7 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-propan-2-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 79953927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).