N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28F2N6O3SSi — CID 140912239

IUPACN-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1ccc(OC(F)F)c(-c2c(NC(=O)c3cnn4cccnc34)cnn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C24H28F2N6O3SSi/c1-36-16-6-7-20(35-24(25)26)17(12-16)21-19(14-29-32(21)15-34-10-11-37(2,3)4)30-23(33)18-13-28-31-9-5-8-27-22(18)31/h5-9,12-14,24H,10-11,15H2,1-4H3,(H,30,33)
InChIKeyPISRWDQKALEUTE-UHFFFAOYSA-N
MW546.68 g/mol
LogP5.48
Rot. Bonds11

About N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140912239) has the molecular formula C24H28F2N6O3SSi and a molecular weight of 546.68 g/mol. Its IUPAC name is N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140912239
Molecular FormulaC24H28F2N6O3SSi
Molecular Weight546.68 g/mol
Exact Mass546.17
IUPAC NameN-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCSc1ccc(OC(F)F)c(-c2c(NC(=O)c3cnn4cccnc34)cnn2COCC[Si](C)(C)C)c1
InChIInChI=1S/C24H28F2N6O3SSi/c1-36-16-6-7-20(35-24(25)26)17(12-16)21-19(14-29-32(21)15-34-10-11-37(2,3)4)30-23(33)18-13-28-31-9-5-8-27-22(18)31/h5-9,12-14,24H,10-11,15H2,1-4H3,(H,30,33)
InChIKeyPISRWDQKALEUTE-UHFFFAOYSA-N
XLogP5.48
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.68
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-[5-[6-(difluoromethoxy)-3,4-dihydro-2H-chromen-7-yl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153278796
N-[5-[5-bromo-4-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142622245
N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 140956825
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164797
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178158
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129177966
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164794
N-[1-[3-(cyanomethyl)azetidin-3-yl]-3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164808
N-[3-[2-(difluoromethoxy)-5-(2-hydroxyethylsulfanyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155410458
N-[5-(5-chloro-2-methoxyphenyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 131983030
2-[[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912300
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140912239) is N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CSc1ccc(OC(F)F)c(-c2c(NC(=O)c3cnn4cccnc34)cnn2COCC[Si](C)(C)C)c1.
What is the InChIKey of N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PISRWDQKALEUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O3SSi/c1-36-16-6-7-20(35-24(25)26)17(12-16)21-19(14-29-32(21)15-34-10-11-37(2,3)4)30-23(33)18-13-28-31-9-5-8-27-22(18)31/h5-9,12-14,24H,10-11,15H2,1-4H3,(H,30,33).
What are the key properties of N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 546.68 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140912239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).