tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane

C19H29N3OSi — CID 131748096

IUPACtert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane
SMILESCn1cc(-c2ccc3c(c2CO[Si](C)(C)C(C)(C)C)CCN3)cn1
InChIInChI=1S/C19H29N3OSi/c1-19(2,3)24(5,6)23-13-17-15(14-11-21-22(4)12-14)7-8-18-16(17)9-10-20-18/h7-8,11-12,20H,9-10,13H2,1-6H3
InChIKeyLJNYSLAKEJHIJW-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.58
Rot. Bonds4

About tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane

tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane (PubChem CID 131748096) has the molecular formula C19H29N3OSi and a molecular weight of 343.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane
PubChem CID131748096
Molecular FormulaC19H29N3OSi
Molecular Weight343.55 g/mol
Exact Mass343.21
IUPAC Nametert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane
SMILESCn1cc(-c2ccc3c(c2CO[Si](C)(C)C(C)(C)C)CCN3)cn1
InChIInChI=1S/C19H29N3OSi/c1-19(2,3)24(5,6)23-13-17-15(14-11-21-22(4)12-14)7-8-18-16(17)9-10-20-18/h7-8,11-12,20H,9-10,13H2,1-6H3
InChIKeyLJNYSLAKEJHIJW-UHFFFAOYSA-N
XLogP4.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane (CID 131748096) is tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane is Cn1cc(-c2ccc3c(c2CO[Si](C)(C)C(C)(C)C)CCN3)cn1.
What is the InChIKey of tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane?
The InChIKey is LJNYSLAKEJHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OSi/c1-19(2,3)24(5,6)23-13-17-15(14-11-21-22(4)12-14)7-8-18-16(17)9-10-20-18/h7-8,11-12,20H,9-10,13H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane?
tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane has a molecular weight of 343.55 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[5-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indol-4-yl]methoxy]silane is sourced from PubChem (CID 131748096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).