2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane

C26H26N2Si — CID 67498638

IUPAC2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(C2=CC(c3ccccc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C26H26N2Si/c1-29(2,3)19-18-21-14-16-22(17-15-21)25-20-26(23-10-6-4-7-11-23)28(27-25)24-12-8-5-9-13-24/h4-17,20,26-27H,1-3H3
InChIKeyXLYSYERHJMOJPO-UHFFFAOYSA-N
MW394.59 g/mol
LogP6.02
Rot. Bonds3

About 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane

2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane (PubChem CID 67498638) has the molecular formula C26H26N2Si and a molecular weight of 394.59 g/mol. Its IUPAC name is 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane
PubChem CID67498638
Molecular FormulaC26H26N2Si
Molecular Weight394.59 g/mol
Exact Mass394.19
IUPAC Name2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccc(C2=CC(c3ccccc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C26H26N2Si/c1-29(2,3)19-18-21-14-16-22(17-15-21)25-20-26(23-10-6-4-7-11-23)28(27-25)24-12-8-5-9-13-24/h4-17,20,26-27H,1-3H3
InChIKeyXLYSYERHJMOJPO-UHFFFAOYSA-N
XLogP6.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.59
LogP ≤ 56.02
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 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane (CID 67498638) is 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccc(C2=CC(c3ccccc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane?
The InChIKey is XLYSYERHJMOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2Si/c1-29(2,3)19-18-21-14-16-22(17-15-21)25-20-26(23-10-6-4-7-11-23)28(27-25)24-12-8-5-9-13-24/h4-17,20,26-27H,1-3H3.
What are the key properties of 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane?
2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane has a molecular weight of 394.59 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-diphenyl-1,3-dihydropyrazol-5-yl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 67498638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).