2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane

C24H22ClN3Si — CID 132535846

IUPAC2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane
SMILESCc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(C#C[Si](C)(C)C)n3n2)cc1
InChIInChI=1S/C24H22ClN3Si/c1-17-5-7-19(8-6-17)22-15-24-26-16-21(18-9-11-20(25)12-10-18)23(28(24)27-22)13-14-29(2,3)4/h5-12,15-16H,1-4H3
InChIKeyYGHGVUFBKPHUDY-UHFFFAOYSA-N
MW416.00 g/mol
LogP6.25
Rot. Bonds2

About 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane

2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane (PubChem CID 132535846) has the molecular formula C24H22ClN3Si and a molecular weight of 416.00 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane
PubChem CID132535846
Molecular FormulaC24H22ClN3Si
Molecular Weight416.00 g/mol
Exact Mass415.13
IUPAC Name2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane
SMILESCc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(C#C[Si](C)(C)C)n3n2)cc1
InChIInChI=1S/C24H22ClN3Si/c1-17-5-7-19(8-6-17)22-15-24-26-16-21(18-9-11-20(25)12-10-18)23(28(24)27-22)13-14-29(2,3)4/h5-12,15-16H,1-4H3
InChIKeyYGHGVUFBKPHUDY-UHFFFAOYSA-N
XLogP6.25
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.00
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane (CID 132535846) is 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane is Cc1ccc(-c2cc3ncc(-c4ccc(Cl)cc4)c(C#C[Si](C)(C)C)n3n2)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane?
The InChIKey is YGHGVUFBKPHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3Si/c1-17-5-7-19(8-6-17)22-15-24-26-16-21(18-9-11-20(25)12-10-18)23(28(24)27-22)13-14-29(2,3)4/h5-12,15-16H,1-4H3.
What are the key properties of 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane?
2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane has a molecular weight of 416.00 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 132535846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).