dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane

C8H13F3N2Si — CID 155784167

IUPACdimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C8H13F3N2Si/c1-14(2,6-4-8(9,10)11)7-3-5-12-13-7/h3,5H,4,6H2,1-2H3,(H,12,13)
InChIKeyGGMLSHLBHBVKSD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.28
Rot. Bonds3

About dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane

dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane (PubChem CID 155784167) has the molecular formula C8H13F3N2Si and a molecular weight of 222.29 g/mol. Its IUPAC name is dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane
PubChem CID155784167
Molecular FormulaC8H13F3N2Si
Molecular Weight222.29 g/mol
Exact Mass222.08
IUPAC Namedimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C8H13F3N2Si/c1-14(2,6-4-8(9,10)11)7-3-5-12-13-7/h3,5H,4,6H2,1-2H3,(H,12,13)
InChIKeyGGMLSHLBHBVKSD-UHFFFAOYSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane (CID 155784167) is dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane is C[Si](C)(CCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane?
The InChIKey is GGMLSHLBHBVKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2Si/c1-14(2,6-4-8(9,10)11)7-3-5-12-13-7/h3,5H,4,6H2,1-2H3,(H,12,13).
What are the key properties of dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane?
dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane has a molecular weight of 222.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1H-pyrazol-5-yl)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 155784167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).