1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine

C12H12F3N3O — CID 117230336

IUPAC1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
SMILESCC(N)Oc1cnn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H12F3N3O/c1-8(16)19-11-6-17-18(7-11)10-4-2-3-9(5-10)12(13,14)15/h2-8H,16H2,1H3
InChIKeyFCBQIKHRBBDOGG-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.57
Rot. Bonds3

About 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine

1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine (PubChem CID 117230336) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
PubChem CID117230336
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
SMILESCC(N)Oc1cnn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C12H12F3N3O/c1-8(16)19-11-6-17-18(7-11)10-4-2-3-9(5-10)12(13,14)15/h2-8H,16H2,1H3
InChIKeyFCBQIKHRBBDOGG-UHFFFAOYSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230337
1-[1-(4-methylphenyl)pyrazol-4-yl]oxyethanamine
CID 117230498
4-(1,3-dioxolan-2-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 167784680
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 162542331
4-(azetidin-3-ylmethoxy)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 117230309
3-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxymethyl]-1,2-oxazole
CID 167969681
6-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrimidine-2,4-diamine
CID 167877515
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
1-(3-tert-butylphenyl)-4-fluoropyrazole
CID 146480289
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
3-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]benzoic acid
CID 58156960

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
The IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine (CID 117230336) is 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine is CC(N)Oc1cnn(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
The InChIKey is FCBQIKHRBBDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8(16)19-11-6-17-18(7-11)10-4-2-3-9(5-10)12(13,14)15/h2-8H,16H2,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine has a molecular weight of 271.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine is sourced from PubChem (CID 117230336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).