1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C10H15F3N2O3 — CID 106989367

IUPAC1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCCOCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O3/c1-17-4-5-18-7-8(16)6-15-3-2-9(14-15)10(11,12)13/h2-3,8,16H,4-7H2,1H3
InChIKeyLWXGUAPUGUXDHZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.93
Rot. Bonds7

About 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 106989367) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID106989367
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCOCCOCC(O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O3/c1-17-4-5-18-7-8(16)6-15-3-2-9(14-15)10(11,12)13/h2-3,8,16H,4-7H2,1H3
InChIKeyLWXGUAPUGUXDHZ-UHFFFAOYSA-N
XLogP0.93
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol 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

2-(3-Methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19621865
Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 2064143
2-[5-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 83828147
1-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809229
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanol
CID 19616490
2-(3-methyl-1H-pyrazol-1-yl)ethan-1-ol hydrochloride
CID 137971641
2-(5-Methyl-pyrazol-1-YL)-ethanol
CID 12360320
1-(Propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 4284201
4-{ethyl[(1-ethyl-1H-pyrazol-3-yl)methyl]amino}tetrahydrofuran-3-ol
CID 91833531
1-(Oxiran-2-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 18461116
1,1-Diethoxy-2-[3-(trifluoromethyl)pyrazolyl]ethane
CID 19616955
1-[Di(propan-2-yl)amino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 22958930

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 106989367) is 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is COCCOCC(O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is LWXGUAPUGUXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-17-4-5-18-7-8(16)6-15-3-2-9(14-15)10(11,12)13/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 268.23 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 106989367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).