N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C15H24F3N3 — CID 105109287

IUPACN-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3/c1-3-19-14(12-9-20-21(4-2)10-12)11-6-5-7-13(8-11)15(16,17)18/h9-11,13-14,19H,3-8H2,1-2H3
InChIKeyIIPWZMLFIXILHC-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.92
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105109287) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105109287
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC NameN-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3N3/c1-3-19-14(12-9-20-21(4-2)10-12)11-6-5-7-13(8-11)15(16,17)18/h9-11,13-14,19H,3-8H2,1-2H3
InChIKeyIIPWZMLFIXILHC-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173991
N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105155633
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115816305
[(2-ethylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307255
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738
2-cyclobutyl-1-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103168314
N-[(3-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65410246
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-methyl-1-(1-propylpyrazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105104088
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105109287) is N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1cnn(CC)c1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is IIPWZMLFIXILHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-3-19-14(12-9-20-21(4-2)10-12)11-6-5-7-13(8-11)15(16,17)18/h9-11,13-14,19H,3-8H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 303.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105109287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).