trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane

C29H32N2Si — CID 67498182

IUPACtrimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane
SMILESCC(C)c1ccc(C2C=C(c3ccc(C#C[Si](C)(C)C)cc3)NN2c2ccccc2)cc1
InChIInChI=1S/C29H32N2Si/c1-22(2)24-15-17-26(18-16-24)29-21-28(30-31(29)27-9-7-6-8-10-27)25-13-11-23(12-14-25)19-20-32(3,4)5/h6-18,21-22,29-30H,1-5H3
InChIKeyVPROYOLEMFINCA-UHFFFAOYSA-N
MW436.68 g/mol
LogP7.15
Rot. Bonds4

About trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane

trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane (PubChem CID 67498182) has the molecular formula C29H32N2Si and a molecular weight of 436.68 g/mol. Its IUPAC name is trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane
PubChem CID67498182
Molecular FormulaC29H32N2Si
Molecular Weight436.68 g/mol
Exact Mass436.23
IUPAC Nametrimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane
SMILESCC(C)c1ccc(C2C=C(c3ccc(C#C[Si](C)(C)C)cc3)NN2c2ccccc2)cc1
InChIInChI=1S/C29H32N2Si/c1-22(2)24-15-17-26(18-16-24)29-21-28(30-31(29)27-9-7-6-8-10-27)25-13-11-23(12-14-25)19-20-32(3,4)5/h6-18,21-22,29-30H,1-5H3
InChIKeyVPROYOLEMFINCA-UHFFFAOYSA-N
XLogP7.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane (CID 67498182) is trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane is CC(C)c1ccc(C2C=C(c3ccc(C#C[Si](C)(C)C)cc3)NN2c2ccccc2)cc1.
What is the InChIKey of trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane?
The InChIKey is VPROYOLEMFINCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2Si/c1-22(2)24-15-17-26(18-16-24)29-21-28(30-31(29)27-9-7-6-8-10-27)25-13-11-23(12-14-25)19-20-32(3,4)5/h6-18,21-22,29-30H,1-5H3.
What are the key properties of trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane?
trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane has a molecular weight of 436.68 g/mol, XLogP of 7.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[4-[2-phenyl-3-(4-propan-2-ylphenyl)-1,3-dihydropyrazol-5-yl]phenyl]ethynyl]silane is sourced from PubChem (CID 67498182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).