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

C13H14F3N3O — CID 117230337

IUPACN-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
SMILESCNC(C)Oc1cnn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H14F3N3O/c1-9(17-2)20-12-7-18-19(8-12)11-5-3-4-10(6-11)13(14,15)16/h3-9,17H,1-2H3
InChIKeyWACQGLMPVVWLMB-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.84
Rot. Bonds4

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

N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine (PubChem CID 117230337) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
PubChem CID117230337
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
SMILESCNC(C)Oc1cnn(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H14F3N3O/c1-9(17-2)20-12-7-18-19(8-12)11-5-3-4-10(6-11)13(14,15)16/h3-9,17H,1-2H3
InChIKeyWACQGLMPVVWLMB-UHFFFAOYSA-N
XLogP2.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine
CID 117230336
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
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
1-[1-(3-fluorophenyl)pyrazol-4-yl]oxy-N-methylmethanamine
CID 117230345
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
1-[1-(3-bromophenyl)pyrazol-4-yl]oxy-N-methylpropan-2-amine
CID 117230376
6-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrimidine-2,4-diamine
CID 167877515
1-(3-chlorophenyl)-4-(trifluoromethyl)pyrazole
CID 84803212
1-(3-tert-butylphenyl)-4-fluoropyrazole
CID 146480289

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
The IUPAC name of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine (CID 117230337) is N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
The canonical SMILES for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine is CNC(C)Oc1cnn(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
The InChIKey is WACQGLMPVVWLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-9(17-2)20-12-7-18-19(8-12)11-5-3-4-10(6-11)13(14,15)16/h3-9,17H,1-2H3.
What are the key properties of N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine?
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine has a molecular weight of 285.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]oxyethanamine is sourced from PubChem (CID 117230337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).