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

C17H23F4N3O3Si — CID 140956822

IUPAC5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(OC(F)F)ccc1OC(F)F
InChIInChI=1S/C17H23F4N3O3Si/c1-28(2,3)7-6-25-10-24-15(13(22)9-23-24)12-8-11(26-16(18)19)4-5-14(12)27-17(20)21/h4-5,8-9,16-17H,6-7,10,22H2,1-3H3
InChIKeyVRAXUKMPTLNYJR-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.65
Rot. Bonds10

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

5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 140956822) has the molecular formula C17H23F4N3O3Si and a molecular weight of 421.47 g/mol. Its IUPAC name is 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID140956822
Molecular FormulaC17H23F4N3O3Si
Molecular Weight421.47 g/mol
Exact Mass421.14
IUPAC Name5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(OC(F)F)ccc1OC(F)F
InChIInChI=1S/C17H23F4N3O3Si/c1-28(2,3)7-6-25-10-24-15(13(22)9-23-24)12-8-11(26-16(18)19)4-5-14(12)27-17(20)21/h4-5,8-9,16-17H,6-7,10,22H2,1-3H3
InChIKeyVRAXUKMPTLNYJR-UHFFFAOYSA-N
XLogP4.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 140956822) is 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1ncc(N)c1-c1cc(OC(F)F)ccc1OC(F)F.
What is the InChIKey of 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is VRAXUKMPTLNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O3Si/c1-28(2,3)7-6-25-10-24-15(13(22)9-23-24)12-8-11(26-16(18)19)4-5-14(12)27-17(20)21/h4-5,8-9,16-17H,6-7,10,22H2,1-3H3.
What are the key properties of 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 421.47 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 140956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).