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

C13H20F3N3 — CID 105114039

IUPAC2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCn1cc(CC(N)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3/c1-19-8-9(7-18-19)6-12(17)10-4-2-3-5-11(10)13(14,15)16/h7-8,10-12H,2-6,17H2,1H3
InChIKeyIHKYRKPKECKYHN-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.66
Rot. Bonds3

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

2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105114039) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105114039
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCn1cc(CC(N)C2CCCCC2C(F)(F)F)cn1
InChIInChI=1S/C13H20F3N3/c1-19-8-9(7-18-19)6-12(17)10-4-2-3-5-11(10)13(14,15)16/h7-8,10-12H,2-6,17H2,1H3
InChIKeyIHKYRKPKECKYHN-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822001
2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
CID 115821833
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
[2-(1-ethylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105291456
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80682556
(1-propylpyrazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105103841
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
3-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030057
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105082718
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105114039) is 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is Cn1cc(CC(N)C2CCCCC2C(F)(F)F)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is IHKYRKPKECKYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19-8-9(7-18-19)6-12(17)10-4-2-3-5-11(10)13(14,15)16/h7-8,10-12H,2-6,17H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105114039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).