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

C14H19Cl2N3OSi — CID 87234798

IUPAC2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc(-c2cc(Cl)nc(Cl)c2)n1
InChIInChI=1S/C14H19Cl2N3OSi/c1-21(2,3)7-6-20-10-19-5-4-12(18-19)11-8-13(15)17-14(16)9-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyRTNUYBRBRVLESY-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.56
Rot. Bonds6

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

2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 87234798) has the molecular formula C14H19Cl2N3OSi and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID87234798
Molecular FormulaC14H19Cl2N3OSi
Molecular Weight344.32 g/mol
Exact Mass343.07
IUPAC Name2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc(-c2cc(Cl)nc(Cl)c2)n1
InChIInChI=1S/C14H19Cl2N3OSi/c1-21(2,3)7-6-20-10-19-5-4-12(18-19)11-8-13(15)17-14(16)9-11/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyRTNUYBRBRVLESY-UHFFFAOYSA-N
XLogP4.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[3-(triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 175781519
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174064420
trimethyl-[2-[(5-pyrazin-2-ylindazol-2-yl)methoxy]ethyl]silane
CID 90398670
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
CID 164836120
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
trimethyl-[2-[(3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 162471260
trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane
CID 70911861
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429
2-[[3-[2-chloro-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171781727
5-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-2-(1-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide
CID 140637597

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 87234798) is 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc(-c2cc(Cl)nc(Cl)c2)n1.
What is the InChIKey of 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RTNUYBRBRVLESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3OSi/c1-21(2,3)7-6-20-10-19-5-4-12(18-19)11-8-13(15)17-14(16)9-11/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 344.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 87234798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).