5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

C19H27F2N3O3Si — CID 153278799

IUPAC5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc2c(cc1OC(F)F)CCCO2
InChIInChI=1S/C19H27F2N3O3Si/c1-28(2,3)8-7-25-12-24-18(15(22)11-23-24)14-10-16-13(5-4-6-26-16)9-17(14)27-19(20)21/h9-11,19H,4-8,12,22H2,1-3H3
InChIKeyDFWZOFFMIQPQPJ-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.37
Rot. Bonds8

About 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 153278799) has the molecular formula C19H27F2N3O3Si and a molecular weight of 411.53 g/mol. Its IUPAC name is 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID153278799
Molecular FormulaC19H27F2N3O3Si
Molecular Weight411.53 g/mol
Exact Mass411.18
IUPAC Name5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc2c(cc1OC(F)F)CCCO2
InChIInChI=1S/C19H27F2N3O3Si/c1-28(2,3)8-7-25-12-24-18(15(22)11-23-24)14-10-16-13(5-4-6-26-16)9-17(14)27-19(20)21/h9-11,19H,4-8,12,22H2,1-3H3
InChIKeyDFWZOFFMIQPQPJ-UHFFFAOYSA-N
XLogP4.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.37
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'}

Analyze 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 153278799) is 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1ncc(N)c1-c1cc2c(cc1OC(F)F)CCCO2.
What is the InChIKey of 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is DFWZOFFMIQPQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3Si/c1-28(2,3)8-7-25-12-24-18(15(22)11-23-24)14-10-16-13(5-4-6-26-16)9-17(14)27-19(20)21/h9-11,19H,4-8,12,22H2,1-3H3.
What are the key properties of 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 411.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 153278799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).