2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H22Cl2N4OSi — CID 171627565

IUPAC2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Cl)cc1C1CC1
InChIInChI=1S/C16H22Cl2N4OSi/c1-24(2,3)7-6-23-10-22-14(11-4-5-11)8-13(21-22)15-12(17)9-19-16(18)20-15/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWQLQTGISOBSUMA-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.84
Rot. Bonds7

About 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 171627565) has the molecular formula C16H22Cl2N4OSi and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID171627565
Molecular FormulaC16H22Cl2N4OSi
Molecular Weight385.37 g/mol
Exact Mass384.09
IUPAC Name2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Cl)cc1C1CC1
InChIInChI=1S/C16H22Cl2N4OSi/c1-24(2,3)7-6-23-10-22-14(11-4-5-11)8-13(21-22)15-12(17)9-19-16(18)20-15/h8-9,11H,4-7,10H2,1-3H3
InChIKeyWQLQTGISOBSUMA-UHFFFAOYSA-N
XLogP4.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 171627565) is 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Cl)cc1C1CC1.
What is the InChIKey of 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WQLQTGISOBSUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N4OSi/c1-24(2,3)7-6-23-10-22-14(11-4-5-11)8-13(21-22)15-12(17)9-19-16(18)20-15/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 385.37 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 171627565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).