N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C14H22F3N3O — CID 64798984

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)11-21-9-7-18-10-12-6-8-20(19-12)13-4-2-1-3-5-13/h6,8,13,18H,1-5,7,9-11H2
InChIKeyHLLMUQVKRNLTOF-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.06
Rot. Bonds7

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 64798984) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID64798984
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H22F3N3O/c15-14(16,17)11-21-9-7-18-10-12-6-8-20(19-12)13-4-2-1-3-5-13/h6,8,13,18H,1-5,7,9-11H2
InChIKeyHLLMUQVKRNLTOF-UHFFFAOYSA-N
XLogP3.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 64798984) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ccn(C2CCCCC2)n1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HLLMUQVKRNLTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c15-14(16,17)11-21-9-7-18-10-12-6-8-20(19-12)13-4-2-1-3-5-13/h6,8,13,18H,1-5,7,9-11H2.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 305.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 64798984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).