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

C46H63Cl3F2N10O4Si2 — CID 164991626

IUPACtert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol
SMILESCC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCc1cc(F)ccc1-n1nc(Cl)cc1C(O)c1cn(CC2CC2)nn1.OCc1cc(F)ccc1-n1nc(Cl)cc1C(O)c1cn(CC2CC2)nn1
InChIInChI=1S/C23H31ClFN5O2Si.C17H17ClFN5O2.C6H15ClSi/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;1-6(2,3)8(4,5)7/h8-11,13,15,22,31H,6-7,12,14H2,1-5H3;3-6,8,10,17,25-26H,1-2,7,9H2;1-5H3
InChIKeyGYBSFAWEZBNNEI-UHFFFAOYSA-N
MW1020.60 g/mol
LogP10.74
Rot. Bonds14

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

tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol (PubChem CID 164991626) has the molecular formula C46H63Cl3F2N10O4Si2 and a molecular weight of 1020.60 g/mol. Its IUPAC name is tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Nametert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol
PubChem CID164991626
Molecular FormulaC46H63Cl3F2N10O4Si2
Molecular Weight1020.60 g/mol
Exact Mass1018.36
IUPAC Nametert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol
SMILESCC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCc1cc(F)ccc1-n1nc(Cl)cc1C(O)c1cn(CC2CC2)nn1.OCc1cc(F)ccc1-n1nc(Cl)cc1C(O)c1cn(CC2CC2)nn1
InChIInChI=1S/C23H31ClFN5O2Si.C17H17ClFN5O2.C6H15ClSi/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;1-6(2,3)8(4,5)7/h8-11,13,15,22,31H,6-7,12,14H2,1-5H3;3-6,8,10,17,25-26H,1-2,7,9H2;1-5H3
InChIKeyGYBSFAWEZBNNEI-UHFFFAOYSA-N
XLogP10.74
TPSA166.98 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001020.60
LogP ≤ 510.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Related Compounds

[1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol
CID 164718562
[3-Chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol
CID 164718895
[1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164719310
1-[2-[3-Chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]-hydroxymethyl]pyrazol-1-yl]-5-fluorophenyl]-3-[chloro(dimethyl)silyl]-3-methylbutan-1-ol
CID 174045150
Tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol
CID 164956409
[1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanone
CID 164965578
[3-Chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]methanol;1-ethylpyrazole-4-carbaldehyde
CID 164987416
[3-Chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[2-(3-chloropyrazol-1-yl)-5-fluorophenyl]methanol;1-(cyclopropylmethyl)triazole-4-carbaldehyde
CID 164987805
[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
1-(cyclopropylmethyl)-4-[[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methyl]triazole;[1-(cyclopropylmethyl)triazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazol-5-yl]methanol
CID 165060422
[1-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanol;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-(1-ethylpyrazol-4-yl)methanone
CID 165095751

Frequently Asked Questions

What is the IUPAC name of tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol?
The IUPAC name of tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol (CID 164991626) is tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol?
The canonical SMILES for tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol is CC(C)(C)[Si](C)(C)Cl.CC(C)(C)[Si](C)(C)OCc1cc(F)ccc1-n1nc(Cl)cc1C(O)c1cn(CC2CC2)nn1.OCc1cc(F)ccc1-n1nc(Cl)cc1C(O)c1cn(CC2CC2)nn1.
What is the InChIKey of tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol?
The InChIKey is GYBSFAWEZBNNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClFN5O2Si.C17H17ClFN5O2.C6H15ClSi/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;1-6(2,3)8(4,5)7/h8-11,13,15,22,31H,6-7,12,14H2,1-5H3;3-6,8,10,17,25-26H,1-2,7,9H2;1-5H3.
What are the key properties of tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol?
tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol has a molecular weight of 1020.60 g/mol, XLogP of 10.74, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-chloro-dimethylsilane;[1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenyl]-3-chloropyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol;[3-chloro-1-[4-fluoro-2-(hydroxymethyl)phenyl]pyrazol-5-yl]-[1-(cyclopropylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 164991626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).