2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H21ClF2N2O2Si — CID 140810700

IUPAC2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C16H21ClF2N2O2Si/c1-24(2,3)7-6-22-11-21-10-13(9-20-21)12-4-5-14(17)15(8-12)23-16(18)19/h4-5,8-10,16H,6-7,11H2,1-3H3
InChIKeyKSYPPNYGNKYJPB-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.12
Rot. Bonds8

About 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140810700) has the molecular formula C16H21ClF2N2O2Si and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140810700
Molecular FormulaC16H21ClF2N2O2Si
Molecular Weight374.89 g/mol
Exact Mass374.10
IUPAC Name2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1
InChIInChI=1S/C16H21ClF2N2O2Si/c1-24(2,3)7-6-22-11-21-10-13(9-20-21)12-4-5-14(17)15(8-12)23-16(18)19/h4-5,8-10,16H,6-7,11H2,1-3H3
InChIKeyKSYPPNYGNKYJPB-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

4-[4-chloro-3-(difluoromethoxy)phenyl]-1-[2-(1-ethylpyrazol-4-yl)ethyl]pyrazole
CID 118864201
4-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methyl]-3,5-dimethyl-1H-pyrazole
CID 118864226
2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810687
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
2-[[5-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 150079028
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
butanedioic acid;4-[2-[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]ethyl]-3,5-dimethyl-1H-pyrazole
CID 130447041
2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174064420
4-[4-chloro-3-(difluoromethoxy)phenyl]pyridine
CID 46317964
2-(difluoromethoxy)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]aniline
CID 171384969
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140810700) is 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccc(Cl)c(OC(F)F)c2)cn1.
What is the InChIKey of 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KSYPPNYGNKYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF2N2O2Si/c1-24(2,3)7-6-22-11-21-10-13(9-20-21)12-4-5-14(17)15(8-12)23-16(18)19/h4-5,8-10,16H,6-7,11H2,1-3H3.
What are the key properties of 2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[4-chloro-3-(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-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).