N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C15H24F3N3 — CID 105175019

IUPACN-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1ccn(C)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N3/c1-3-19-14(10-13-8-9-21(2)20-13)11-4-6-12(7-5-11)15(16,17)18/h8-9,11-12,14,19H,3-7,10H2,1-2H3
InChIKeyIWFXCJXPUXMGSM-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105175019) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105175019
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(Cc1ccn(C)n1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N3/c1-3-19-14(10-13-8-9-21(2)20-13)11-4-6-12(7-5-11)15(16,17)18/h8-9,11-12,14,19H,3-7,10H2,1-2H3
InChIKeyIWFXCJXPUXMGSM-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 107004877
[1-cyclohexyl-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105201792
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309
1-cyclopropyl-1-ethoxy-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 116723587
1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878113
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 82868525
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 105175019) is N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is CCNC(Cc1ccn(C)n1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is IWFXCJXPUXMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-3-19-14(10-13-8-9-21(2)20-13)11-4-6-12(7-5-11)15(16,17)18/h8-9,11-12,14,19H,3-7,10H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 303.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105175019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).