1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane

C22H25Cl2N3Si — CID 86567562

IUPAC1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESC[Si]1(C)CCN(Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C22H25Cl2N3Si/c1-28(2)13-11-26(12-14-28)16-20-15-22(17-3-5-18(23)6-4-17)27(25-20)21-9-7-19(24)8-10-21/h3-10,15H,11-14,16H2,1-2H3
InChIKeySMFLDLVEYHKLAQ-UHFFFAOYSA-N
MW430.46 g/mol
LogP6.37
Rot. Bonds4

About 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane

1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (PubChem CID 86567562) has the molecular formula C22H25Cl2N3Si and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.

Molecular Properties

Compound Name1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
PubChem CID86567562
Molecular FormulaC22H25Cl2N3Si
Molecular Weight430.46 g/mol
Exact Mass429.12
IUPAC Name1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESC[Si]1(C)CCN(Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C22H25Cl2N3Si/c1-28(2)13-11-26(12-14-28)16-20-15-22(17-3-5-18(23)6-4-17)27(25-20)21-9-7-19(24)8-10-21/h3-10,15H,11-14,16H2,1-2H3
InChIKeySMFLDLVEYHKLAQ-UHFFFAOYSA-N
XLogP6.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane 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 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The IUPAC name of 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (CID 86567562) is 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.
What is the SMILES notation for 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The canonical SMILES for 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is C[Si]1(C)CCN(Cc2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The InChIKey is SMFLDLVEYHKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3Si/c1-28(2)13-11-26(12-14-28)16-20-15-22(17-3-5-18(23)6-4-17)27(25-20)21-9-7-19(24)8-10-21/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane has a molecular weight of 430.46 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is sourced from PubChem (CID 86567562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).