1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane

C25H32FN3Si — CID 155557396

IUPAC1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESCC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H32FN3Si/c1-19(2)20-5-7-21(8-6-20)25-17-23(18-28-13-15-30(3,4)16-14-28)27-29(25)24-11-9-22(26)10-12-24/h5-12,17,19H,13-16,18H2,1-4H3
InChIKeyWJRRLFSXZLAKDB-UHFFFAOYSA-N
MW421.64 g/mol
LogP6.33
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane

1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (PubChem CID 155557396) has the molecular formula C25H32FN3Si and a molecular weight of 421.64 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
PubChem CID155557396
Molecular FormulaC25H32FN3Si
Molecular Weight421.64 g/mol
Exact Mass421.23
IUPAC Name1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESCC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C25H32FN3Si/c1-19(2)20-5-7-21(8-6-20)25-17-23(18-28-13-15-30(3,4)16-14-28)27-29(25)24-11-9-22(26)10-12-24/h5-12,17,19H,13-16,18H2,1-4H3
InChIKeyWJRRLFSXZLAKDB-UHFFFAOYSA-N
XLogP6.33
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.64
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sant-1
CID 6878030
N-[[1-(2,4-difluorophenyl)-3-(p-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546529
1-[[1-Cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155516584
1-[[1-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155536978
1-[[1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155540068
1-[[1-(4-Fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4-methoxypiperidine
CID 155542932
1-[[1-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 155552587
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-phenyl-1-piperazinamine
CID 5727593
1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(phenylmethyl)-1-piperazinyl]methanimine
CID 1356208
1-[[1,5-Bis(4-chlorophenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
CID 86567562
3-(4-Methylphenyl)-1,5-diphenyl-1h-pyrazole
CID 288925
5-(4-Methylphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532338

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (CID 155557396) is 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is CC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The InChIKey is WJRRLFSXZLAKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3Si/c1-19(2)20-5-7-21(8-6-20)25-17-23(18-28-13-15-30(3,4)16-14-28)27-29(25)24-11-9-22(26)10-12-24/h5-12,17,19H,13-16,18H2,1-4H3.
What are the key properties of 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane has a molecular weight of 421.64 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is sourced from PubChem (CID 155557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).