N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C11H16F3N3O — CID 62566022

IUPACN-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCC2CCCO2)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-3-5-17(16-10)6-4-15-8-9-2-1-7-18-9/h3,5,9,15H,1-2,4,6-8H2
InChIKeyPBADPGSCKMADJL-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.67
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 62566022) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID62566022
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCC2CCCO2)n1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)10-3-5-17(16-10)6-4-15-8-9-2-1-7-18-9/h3,5,9,15H,1-2,4,6-8H2
InChIKeyPBADPGSCKMADJL-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.67
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-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 62566022) is N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is FC(F)(F)c1ccn(CCNCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is PBADPGSCKMADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)10-3-5-17(16-10)6-4-15-8-9-2-1-7-18-9/h3,5,9,15H,1-2,4,6-8H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 62566022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).