2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C15H22IN3OSi — CID 147098529

IUPAC2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2I)n1
InChIInChI=1S/C15H22IN3OSi/c1-12-6-5-7-14(17-12)15-13(16)10-19(18-15)11-20-8-9-21(2,3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyBKEXQMLRYZQBPK-UHFFFAOYSA-N
MW415.35 g/mol
LogP4.17
Rot. Bonds6

About 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 147098529) has the molecular formula C15H22IN3OSi and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID147098529
Molecular FormulaC15H22IN3OSi
Molecular Weight415.35 g/mol
Exact Mass415.06
IUPAC Name2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cccc(-c2nn(COCC[Si](C)(C)C)cc2I)n1
InChIInChI=1S/C15H22IN3OSi/c1-12-6-5-7-14(17-12)15-13(16)10-19(18-15)11-20-8-9-21(2,3)4/h5-7,10H,8-9,11H2,1-4H3
InChIKeyBKEXQMLRYZQBPK-UHFFFAOYSA-N
XLogP4.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[4-fluoro-3-[1-(2-trityloxyethyl)imidazol-4-yl]phenyl]-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69350340
trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane
CID 70911861
2-[[5-cyclopropyl-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434265
2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156686509
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
2-[[5-bromo-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434182
2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine
CID 150705653
2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434279
2-[[4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153434240
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798

Frequently Asked Questions

What is the IUPAC name of 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 147098529) is 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cccc(-c2nn(COCC[Si](C)(C)C)cc2I)n1.
What is the InChIKey of 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BKEXQMLRYZQBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3OSi/c1-12-6-5-7-14(17-12)15-13(16)10-19(18-15)11-20-8-9-21(2,3)4/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 415.35 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-iodo-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 147098529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).