5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

C16H22ClF2N3O2Si — CID 123143092

IUPAC5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H22ClF2N3O2Si/c1-25(2,3)7-6-23-10-22-15(13(20)9-21-22)12-8-11(17)4-5-14(12)24-16(18)19/h4-5,8-9,16H,6-7,10,20H2,1-3H3
InChIKeyYFNLJEFXSCZEQU-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.70
Rot. Bonds8

About 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 123143092) has the molecular formula C16H22ClF2N3O2Si and a molecular weight of 389.91 g/mol. Its IUPAC name is 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID123143092
Molecular FormulaC16H22ClF2N3O2Si
Molecular Weight389.91 g/mol
Exact Mass389.11
IUPAC Name5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C16H22ClF2N3O2Si/c1-25(2,3)7-6-23-10-22-15(13(20)9-21-22)12-8-11(17)4-5-14(12)24-16(18)19/h4-5,8-9,16H,6-7,10,20H2,1-3H3
InChIKeyYFNLJEFXSCZEQU-UHFFFAOYSA-N
XLogP4.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.70
H-Bond Donors ≤ 51
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 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 123143092) is 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is YFNLJEFXSCZEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF2N3O2Si/c1-25(2,3)7-6-23-10-22-15(13(20)9-21-22)12-8-11(17)4-5-14(12)24-16(18)19/h4-5,8-9,16H,6-7,10,20H2,1-3H3.
What are the key properties of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 389.91 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 123143092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).