[3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol

C12H21F3N2O2Si — CID 68630013

IUPAC[3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
SMILESCc1nn(COCC[Si](C)(C)C)c(C(F)(F)F)c1CO
InChIInChI=1S/C12H21F3N2O2Si/c1-9-10(7-18)11(12(13,14)15)17(16-9)8-19-5-6-20(2,3)4/h18H,5-8H2,1-4H3
InChIKeyBATLCQWGDPINPN-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.01
Rot. Bonds6

About [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol

[3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (PubChem CID 68630013) has the molecular formula C12H21F3N2O2Si and a molecular weight of 310.39 g/mol. Its IUPAC name is [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
PubChem CID68630013
Molecular FormulaC12H21F3N2O2Si
Molecular Weight310.39 g/mol
Exact Mass310.13
IUPAC Name[3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
SMILESCc1nn(COCC[Si](C)(C)C)c(C(F)(F)F)c1CO
InChIInChI=1S/C12H21F3N2O2Si/c1-9-10(7-18)11(12(13,14)15)17(16-9)8-19-5-6-20(2,3)4/h18H,5-8H2,1-4H3
InChIKeyBATLCQWGDPINPN-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.01
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'}

Analyze [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol (CID 68630013) is [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is Cc1nn(COCC[Si](C)(C)C)c(C(F)(F)F)c1CO.
What is the InChIKey of [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
The InChIKey is BATLCQWGDPINPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2Si/c1-9-10(7-18)11(12(13,14)15)17(16-9)8-19-5-6-20(2,3)4/h18H,5-8H2,1-4H3.
What are the key properties of [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol?
[3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol has a molecular weight of 310.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 68630013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).