trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane

C14H17N3Si — CID 174070318

IUPACtrimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane
SMILESCc1ccn(-c2cncc(C#C[Si](C)(C)C)c2)n1
InChIInChI=1S/C14H17N3Si/c1-12-5-7-17(16-12)14-9-13(10-15-11-14)6-8-18(2,3)4/h5,7,9-11H,1-4H3
InChIKeyBNQYXUPJADBSBX-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.80
Rot. Bonds1

About trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane

trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane (PubChem CID 174070318) has the molecular formula C14H17N3Si and a molecular weight of 255.40 g/mol. Its IUPAC name is trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane
PubChem CID174070318
Molecular FormulaC14H17N3Si
Molecular Weight255.40 g/mol
Exact Mass255.12
IUPAC Nametrimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane
SMILESCc1ccn(-c2cncc(C#C[Si](C)(C)C)c2)n1
InChIInChI=1S/C14H17N3Si/c1-12-5-7-17(16-12)14-9-13(10-15-11-14)6-8-18(2,3)4/h5,7,9-11H,1-4H3
InChIKeyBNQYXUPJADBSBX-UHFFFAOYSA-N
XLogP2.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.80
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 trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane (CID 174070318) is trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane is Cc1ccn(-c2cncc(C#C[Si](C)(C)C)c2)n1.
What is the InChIKey of trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane?
The InChIKey is BNQYXUPJADBSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3Si/c1-12-5-7-17(16-12)14-9-13(10-15-11-14)6-8-18(2,3)4/h5,7,9-11H,1-4H3.
What are the key properties of trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane?
trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane has a molecular weight of 255.40 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-(3-methylpyrazol-1-yl)-3-pyridinyl]ethynyl]silane is sourced from PubChem (CID 174070318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).