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

C23H25F4N3Si — CID 155552587

IUPAC1-[[1-(4-fluorophenyl)-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(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H25F4N3Si/c1-31(2)13-11-29(12-14-31)16-20-15-22(17-3-5-18(6-4-17)23(25,26)27)30(28-20)21-9-7-19(24)8-10-21/h3-10,15H,11-14,16H2,1-2H3
InChIKeyCSFRLWOWNMLPSD-UHFFFAOYSA-N
MW447.55 g/mol
LogP6.22
Rot. Bonds4

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

1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (PubChem CID 155552587) has the molecular formula C23H25F4N3Si and a molecular weight of 447.55 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
PubChem CID155552587
Molecular FormulaC23H25F4N3Si
Molecular Weight447.55 g/mol
Exact Mass447.18
IUPAC Name1-[[1-(4-fluorophenyl)-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(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C23H25F4N3Si/c1-31(2)13-11-29(12-14-31)16-20-15-22(17-3-5-18(6-4-17)23(25,26)27)30(28-20)21-9-7-19(24)8-10-21/h3-10,15H,11-14,16H2,1-2H3
InChIKeyCSFRLWOWNMLPSD-UHFFFAOYSA-N
XLogP6.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.55
LogP ≤ 56.22
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-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (CID 155552587) is 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-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(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The InChIKey is CSFRLWOWNMLPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3Si/c1-31(2)13-11-29(12-14-31)16-20-15-22(17-3-5-18(6-4-17)23(25,26)27)30(28-20)21-9-7-19(24)8-10-21/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane has a molecular weight of 447.55 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is sourced from PubChem (CID 155552587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).