[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol

C23H26Cl3N3OSi — CID 86567561

IUPAC[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol
SMILESC[Si]1(C)CCN(Cc2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2CO)CC1
InChIInChI=1S/C23H26Cl3N3OSi/c1-31(2)11-9-28(10-12-31)14-21-19(15-30)23(16-3-5-17(24)6-4-16)29(27-21)22-8-7-18(25)13-20(22)26/h3-8,13,30H,9-12,14-15H2,1-2H3
InChIKeyRTOTYYZVZRNTLW-UHFFFAOYSA-N
MW494.93 g/mol
LogP6.52
Rot. Bonds5

About [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol

[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol (PubChem CID 86567561) has the molecular formula C23H26Cl3N3OSi and a molecular weight of 494.93 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol
PubChem CID86567561
Molecular FormulaC23H26Cl3N3OSi
Molecular Weight494.93 g/mol
Exact Mass493.09
IUPAC Name[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol
SMILESC[Si]1(C)CCN(Cc2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2CO)CC1
InChIInChI=1S/C23H26Cl3N3OSi/c1-31(2)11-9-28(10-12-31)14-21-19(15-30)23(16-3-5-17(24)6-4-16)29(27-21)22-8-7-18(25)13-20(22)26/h3-8,13,30H,9-12,14-15H2,1-2H3
InChIKeyRTOTYYZVZRNTLW-UHFFFAOYSA-N
XLogP6.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]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 [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol (CID 86567561) is [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol is C[Si]1(C)CCN(Cc2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2CO)CC1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol?
The InChIKey is RTOTYYZVZRNTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl3N3OSi/c1-31(2)11-9-28(10-12-31)14-21-19(15-30)23(16-3-5-17(24)6-4-16)29(27-21)22-8-7-18(25)13-20(22)26/h3-8,13,30H,9-12,14-15H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol?
[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol has a molecular weight of 494.93 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-[(4,4-dimethyl-1,4-azasilinan-1-yl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 86567561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).