2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C18H27N2O2PSi — CID 135064926

IUPAC2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nccc1P(=O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H27N2O2PSi/c1-24(2,3)14-13-22-15-20-18(11-12-19-20)23(21,17-9-10-17)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3
InChIKeyFXBFFTULNHPWKN-UHFFFAOYSA-N
MW362.49 g/mol
LogP3.67
Rot. Bonds8

About 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135064926) has the molecular formula C18H27N2O2PSi and a molecular weight of 362.49 g/mol. Its IUPAC name is 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135064926
Molecular FormulaC18H27N2O2PSi
Molecular Weight362.49 g/mol
Exact Mass362.16
IUPAC Name2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nccc1P(=O)(c1ccccc1)C1CC1
InChIInChI=1S/C18H27N2O2PSi/c1-24(2,3)14-13-22-15-20-18(11-12-19-20)23(21,17-9-10-17)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3
InChIKeyFXBFFTULNHPWKN-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 53.67
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
ethyl 5-[ethoxy(phenyl)phosphoryl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 135063583
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
2-[[3-bromo-5-(phenylsulfonimidoyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153357237
trimethyl-[2-[(3-phenyl-5-trimethylstannyl-1,2,4-triazol-1-yl)methoxy]ethyl]silane
CID 168730347
2-[[5-(benzenesulfonyl)-3-bromo-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153356807
2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane
CID 170992405
trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
2-[methyl(trityl)amino]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
CID 22574414
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135064926) is 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nccc1P(=O)(c1ccccc1)C1CC1.
What is the InChIKey of 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FXBFFTULNHPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N2O2PSi/c1-24(2,3)14-13-22-15-20-18(11-12-19-20)23(21,17-9-10-17)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10,13-15H2,1-3H3.
What are the key properties of 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 362.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[cyclopropyl(phenyl)phosphoryl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135064926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).