N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C10H16F3N3O — CID 82710918

IUPACN-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-6-9(8(3)16(4)14-6)7(2)15-17-5-10(11,12)13/h7,15H,5H2,1-4H3
InChIKeyHJQLOAVFQYYQMF-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.18
Rot. Bonds4

About N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 82710918) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID82710918
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC NameN-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NOCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-6-9(8(3)16(4)14-6)7(2)15-17-5-10(11,12)13/h7,15H,5H2,1-4H3
InChIKeyHJQLOAVFQYYQMF-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 82710918) is N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is HJQLOAVFQYYQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-6-9(8(3)16(4)14-6)7(2)15-17-5-10(11,12)13/h7,15H,5H2,1-4H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 251.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 82710918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).