[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone

C40H44Cl2F2N10O4Si — CID 165048216

About [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone

[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone (PubChem CID 165048216) has the molecular formula C40H44Cl2F2N10O4Si and a molecular weight of 865.85 g/mol. Its IUPAC name is [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone.

Molecular Properties

• Compound Name: [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone
• PubChem CID: 165048216
• Molecular Formula: C40H44Cl2F2N10O4Si
• Molecular Weight: 865.85 g/mol
• Exact Mass: 864.27
• IUPAC Name: [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone
• SMILES: CC(C)(C)[Si](C)(C)OCc1cc(F)ccc1-n1nc(Cl)cc1C(=O)c1cn(CC2CC2)nn1.O=C(c1cn(CC2CC2)nn1)c1cc(Cl)nn1-c1ccc(F)cc1CO
• InChI: InChI=1S/C23H29ClFN5O2Si.C17H15ClFN5O2/c1-23(2,3)33(4,5)32-14-16-10-17(25)8-9-19(16)30-20(11-21(24)27-30)22(31)18-13-29(28-26-18)12-15-6-7-15;18-16-6-15(17(26)13-8-23(22-20-13)7-10-1-2-10)24(21-16)14-4-3-12(19)5-11(14)9-25/h8-11,13,15H,6-7,12,14H2,1-5H3;3-6,8,10,25H,1-2,7,9H2
• InChIKey: PFUHETXLGVSBPW-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 160.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.85
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone?

The IUPAC name of [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone (CID 165048216) is [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone.

What is the SMILES notation for [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone?

The canonical SMILES for [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone is CC(C)(C)[Si](C)(C)OCc1cc(F)ccc1-n1nc(Cl)cc1C(=O)c1cn(CC2CC2)nn1.O=C(c1cn(CC2CC2)nn1)c1cc(Cl)nn1-c1ccc(F)cc1CO.

What is the InChIKey of [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone?

The InChIKey is PFUHETXLGVSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFN5O2Si.C17H15ClFN5O2/c1-23(2,3)33(4,5)32-14-16-10-17(25)8-9-19(16)30-20(11-21(24)27-30)22(31)18-13-29(28-26-18)12-15-6-7-15;18-16-6-15(17(26)13-8-23(22-20-13)7-10-1-2-10)24(21-16)14-4-3-12(19)5-11(14)9-25/h8-11,13,15H,6-7,12,14H2,1-5H3;3-6,8,10,25H,1-2,7,9H2.

What are the key properties of [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone?

[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone has a molecular weight of 865.85 g/mol, XLogP of 7.81, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 165048216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).