[2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol

C27H35ClF3N3O3Si — CID 154636119

About [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol

[2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol (PubChem CID 154636119) has the molecular formula C27H35ClF3N3O3Si and a molecular weight of 570.13 g/mol. Its IUPAC name is [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

• Compound Name: [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol
• PubChem CID: 154636119
• Molecular Formula: C27H35ClF3N3O3Si
• Molecular Weight: 570.13 g/mol
• Exact Mass: 569.21
• IUPAC Name: [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol
• SMILES: COc1cccc(-c2c[nH]c(-c3cnn(C4CC(C)(O[Si](C)(C)C(C)(C)C)C4)c3C(F)(F)F)c2CO)c1Cl
• InChI: InChI=1S/C27H35ClF3N3O3Si/c1-25(2,3)38(6,7)37-26(4)11-16(12-26)34-24(27(29,30)31)19(14-33-34)23-20(15-35)18(13-32-23)17-9-8-10-21(36-5)22(17)28/h8-10,13-14,16,32,35H,11-12,15H2,1-7H3
• InChIKey: DAWQXVJBADPZHL-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 72.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.13
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol?

The IUPAC name of [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol (CID 154636119) is [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol.

What is the SMILES notation for [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol?

The canonical SMILES for [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol is COc1cccc(-c2c[nH]c(-c3cnn(C4CC(C)(O[Si](C)(C)C(C)(C)C)C4)c3C(F)(F)F)c2CO)c1Cl.

What is the InChIKey of [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol?

The InChIKey is DAWQXVJBADPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClF3N3O3Si/c1-25(2,3)38(6,7)37-26(4)11-16(12-26)34-24(27(29,30)31)19(14-33-34)23-20(15-35)18(13-32-23)17-9-8-10-21(36-5)22(17)28/h8-10,13-14,16,32,35H,11-12,15H2,1-7H3.

What are the key properties of [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol?

[2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 570.13 g/mol, XLogP of 7.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-[3-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclobutyl]-5-(trifluoromethyl)pyrazol-4-yl]-4-(2-chloro-3-methoxyphenyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 154636119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).