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

C25H39N3Si — CID 155516584

IUPAC1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESCC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C25H39N3Si/c1-20(2)21-10-12-22(13-11-21)25-18-23(19-27-14-16-29(3,4)17-15-27)26-28(25)24-8-6-5-7-9-24/h10-13,18,20,24H,5-9,14-17,19H2,1-4H3
InChIKeyNRNAVAWDIFEDCC-UHFFFAOYSA-N
MW409.69 g/mol
LogP6.70
Rot. Bonds5

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

1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (PubChem CID 155516584) has the molecular formula C25H39N3Si and a molecular weight of 409.69 g/mol. Its IUPAC name is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.

Molecular Properties

Compound Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
PubChem CID155516584
Molecular FormulaC25H39N3Si
Molecular Weight409.69 g/mol
Exact Mass409.29
IUPAC Name1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane
SMILESCC(C)c1ccc(-c2cc(CN3CC[Si](C)(C)CC3)nn2C2CCCCC2)cc1
InChIInChI=1S/C25H39N3Si/c1-20(2)21-10-12-22(13-11-21)25-18-23(19-27-14-16-29(3,4)17-15-27)26-28(25)24-8-6-5-7-9-24/h10-13,18,20,24H,5-9,14-17,19H2,1-4H3
InChIKeyNRNAVAWDIFEDCC-UHFFFAOYSA-N
XLogP6.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.69
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The IUPAC name of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane (CID 155516584) is 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane.
What is the SMILES notation for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The canonical SMILES for 1-[[1-cyclohexyl-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)nn2C2CCCCC2)cc1.
What is the InChIKey of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
The InChIKey is NRNAVAWDIFEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3Si/c1-20(2)21-10-12-22(13-11-21)25-18-23(19-27-14-16-29(3,4)17-15-27)26-28(25)24-8-6-5-7-9-24/h10-13,18,20,24H,5-9,14-17,19H2,1-4H3.
What are the key properties of 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane?
1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane has a molecular weight of 409.69 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]-4,4-dimethyl-1,4-azasilinane is sourced from PubChem (CID 155516584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).