1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol

C14H25F3N2O2Si — CID 174060488

IUPAC1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(COCC[Si](C)(C)C)c1CC(F)(F)F
InChIInChI=1S/C14H25F3N2O2Si/c1-5-13(20)11-9-18-19(12(11)8-14(15,16)17)10-21-6-7-22(2,3)4/h9,13,20H,5-8,10H2,1-4H3
InChIKeyDQAVQSSDKBKQNE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.74
Rot. Bonds8

About 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol

1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 174060488) has the molecular formula C14H25F3N2O2Si and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol
PubChem CID174060488
Molecular FormulaC14H25F3N2O2Si
Molecular Weight338.45 g/mol
Exact Mass338.16
IUPAC Name1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(COCC[Si](C)(C)C)c1CC(F)(F)F
InChIInChI=1S/C14H25F3N2O2Si/c1-5-13(20)11-9-18-19(12(11)8-14(15,16)17)10-21-6-7-22(2,3)4/h9,13,20H,5-8,10H2,1-4H3
InChIKeyDQAVQSSDKBKQNE-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol (CID 174060488) is 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(COCC[Si](C)(C)C)c1CC(F)(F)F.
What is the InChIKey of 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is DQAVQSSDKBKQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2Si/c1-5-13(20)11-9-18-19(12(11)8-14(15,16)17)10-21-6-7-22(2,3)4/h9,13,20H,5-8,10H2,1-4H3.
What are the key properties of 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol?
1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 338.45 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 174060488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).