1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane

C23H32F3N3Si — CID 155540068

IUPAC1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESC[Si]1(C)CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C23H32F3N3Si/c1-30(2)14-12-28(13-15-30)17-20-16-22(29(27-20)21-6-4-3-5-7-21)18-8-10-19(11-9-18)23(24,25)26/h8-11,16,21H,3-7,12-15,17H2,1-2H3
InChIKeyKWICTXLYMFFNGS-UHFFFAOYSA-N
MW435.61 g/mol
LogP6.60
Rot. Bonds4

About 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane

1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (PubChem CID 155540068) has the molecular formula C23H32F3N3Si and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.

Molecular Properties

Compound Name1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
PubChem CID155540068
Molecular FormulaC23H32F3N3Si
Molecular Weight435.61 g/mol
Exact Mass435.23
IUPAC Name1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESC[Si]1(C)CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C3CCCCC3)n2)CC1
InChIInChI=1S/C23H32F3N3Si/c1-30(2)14-12-28(13-15-30)17-20-16-22(29(27-20)21-6-4-3-5-7-21)18-8-10-19(11-9-18)23(24,25)26/h8-11,16,21H,3-7,12-15,17H2,1-2H3
InChIKeyKWICTXLYMFFNGS-UHFFFAOYSA-N
XLogP6.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The IUPAC name of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (CID 155540068) is 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.
What is the SMILES notation for 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The canonical SMILES for 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is C[Si]1(C)CCN(Cc2cc(-c3ccc(C(F)(F)F)cc3)n(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The InChIKey is KWICTXLYMFFNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3Si/c1-30(2)14-12-28(13-15-30)17-20-16-22(29(27-20)21-6-4-3-5-7-21)18-8-10-19(11-9-18)23(24,25)26/h8-11,16,21H,3-7,12-15,17H2,1-2H3.
What are the key properties of 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane has a molecular weight of 435.61 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is sourced from PubChem (CID 155540068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).