2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H21ClF2N2O2Si — CID 150079028

IUPAC2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nccc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H21ClF2N2O2Si/c1-24(2,3)9-8-22-11-21-14(6-7-20-21)13-10-12(17)4-5-15(13)23-16(18)19/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyDQWIGYGQEGXFNM-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.12
Rot. Bonds8

About 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 150079028) has the molecular formula C16H21ClF2N2O2Si and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID150079028
Molecular FormulaC16H21ClF2N2O2Si
Molecular Weight374.89 g/mol
Exact Mass374.10
IUPAC Name2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nccc1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H21ClF2N2O2Si/c1-24(2,3)9-8-22-11-21-14(6-7-20-21)13-10-12(17)4-5-15(13)23-16(18)19/h4-7,10,16H,8-9,11H2,1-3H3
InChIKeyDQWIGYGQEGXFNM-UHFFFAOYSA-N
XLogP5.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.12
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'}

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Related Compounds

2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
N-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-methylsulfanyl-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
CID 153307292
2-[[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912300
5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 153278799
2-[[5-cyclopropyl-4-(2,5-dichlorophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164851760
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
2-[[5-[2-(difluoromethoxy)-6-fluorophenyl]indol-1-yl]methoxy]ethyl-trimethylsilane
CID 175349192
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522
3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332723
ethyl 3-(5-chloro-2-cyclopropyloxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 70496280

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 150079028) is 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nccc1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DQWIGYGQEGXFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF2N2O2Si/c1-24(2,3)9-8-22-11-21-14(6-7-20-21)13-10-12(17)4-5-15(13)23-16(18)19/h4-7,10,16H,8-9,11H2,1-3H3.
What are the key properties of 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 374.89 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 150079028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).