1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine

C13H22F3N3 — CID 82697642

IUPAC1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CC(F)(F)F)c(CC)c1C(CC)NC
InChIInChI=1S/C13H22F3N3/c1-5-9(17-4)12-10(6-2)18-19(11(12)7-3)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeyZEBUUIWVTBGFFG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.24
Rot. Bonds6

About 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine

1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 82697642) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID82697642
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1nn(CC(F)(F)F)c(CC)c1C(CC)NC
InChIInChI=1S/C13H22F3N3/c1-5-9(17-4)12-10(6-2)18-19(11(12)7-3)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeyZEBUUIWVTBGFFG-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 116618001
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103139446
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 82698034
2-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 82700513
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
1-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylethanamine
CID 82697714
1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
CID 82697397
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 82697642) is 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine is CCc1nn(CC(F)(F)F)c(CC)c1C(CC)NC.
What is the InChIKey of 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is ZEBUUIWVTBGFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3/c1-5-9(17-4)12-10(6-2)18-19(11(12)7-3)8-13(14,15)16/h9,17H,5-8H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 277.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 82697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).