2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine

C8H12F3N3O — CID 66442457

IUPAC2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-15-3-2-12-4-6-5-13-14-7(6)8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyKQPPIAMOTKLCJY-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.16
Rot. Bonds5

About 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine

2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 66442457) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID66442457
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCOCCNCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-15-3-2-12-4-6-5-13-14-7(6)8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14)
InChIKeyKQPPIAMOTKLCJY-UHFFFAOYSA-N
XLogP1.16
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-1-ol
CID 43663748
2-methyl-1-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-2-ol
CID 63932283
N-Methyl-N-[(3-methyl-1H-pyrazol-4-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91771454
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
N-methyl-1-(3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 66440243
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 66441856
4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]morpholine
CID 68046364
2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol
CID 141194076
5-(difluoromethyl)-N'-morpholin-4-yl-1H-pyrazole-4-carboximidamide
CID 174037667
N'-morpholin-4-yl-5-(trifluoromethyl)-1H-pyrazole-4-carboximidamide
CID 174037694
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663422
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 54896806

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 66442457) is 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine is COCCNCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is KQPPIAMOTKLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-15-3-2-12-4-6-5-13-14-7(6)8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine?
2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 223.20 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66442457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).