1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole

C100H116F6N14O10S — CID 158385074

IUPAC1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOc1c(C)cccc1-c1cncs1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(CC(F)(F)F)c1.COc1c(C)cccc1-c1cnn(CC(F)F)c1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncc(C)[nH]1.COc1c(C)cccc1C(=O)NCCC(C)(C)O
InChIInChI=1S/C14H21NO3.C13H13F3N2O.C13H14F2N2O.C13H15FN2O.3C12H14N2O.C11H11NOS/c1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-9-4-3-5-11(12(9)19-2)10-6-17-18(7-10)8-13(14,15)16;1-9-4-3-5-11(13(9)18-2)10-6-16-17(7-10)8-12(14)15;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;2*1-9-5-4-6-11(12(9)15-3)10-7-13-14(2)8-10;1-8-5-4-6-10(11(8)15-3)12-13-7-9(2)14-12;1-8-4-3-5-9(11(8)13-2)10-6-12-7-14-10/h5-7,17H,8-9H2,1-4H3,(H,15,16);3-7H,8H2,1-2H3;3-7,12H,8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,13,14);3-7H,1-2H3
InChIKeyGWGPHDBPTHTTSG-UHFFFAOYSA-N
MW1820.17 g/mol
LogP21.93
Rot. Bonds24

About 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole

1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 158385074) has the molecular formula C100H116F6N14O10S and a molecular weight of 1820.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID158385074
Molecular FormulaC100H116F6N14O10S
Molecular Weight1820.17 g/mol
Exact Mass1818.86
IUPAC Name1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOc1c(C)cccc1-c1cncs1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(CC(F)(F)F)c1.COc1c(C)cccc1-c1cnn(CC(F)F)c1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncc(C)[nH]1.COc1c(C)cccc1C(=O)NCCC(C)(C)O
InChIInChI=1S/C14H21NO3.C13H13F3N2O.C13H14F2N2O.C13H15FN2O.3C12H14N2O.C11H11NOS/c1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-9-4-3-5-11(12(9)19-2)10-6-17-18(7-10)8-13(14,15)16;1-9-4-3-5-11(13(9)18-2)10-6-16-17(7-10)8-12(14)15;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;2*1-9-5-4-6-11(12(9)15-3)10-7-13-14(2)8-10;1-8-5-4-6-10(11(8)15-3)12-13-7-9(2)14-12;1-8-4-3-5-9(11(8)13-2)10-6-12-7-14-10/h5-7,17H,8-9H2,1-4H3,(H,15,16);3-7H,8H2,1-2H3;3-7,12H,8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,13,14);3-7H,1-2H3
InChIKeyGWGPHDBPTHTTSG-UHFFFAOYSA-N
XLogP21.93
TPSA253.84 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001820.17
LogP ≤ 521.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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Related Compounds

3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-[(dimethylamino)methyl]-4-methoxy-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(2-acetamido-1,3-thiazol-5-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide;N-[3-(3,3-dimethylbutyl)-4-methyl-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157074548
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;3-(2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-6-methylpyridine;2-(2-methoxy-3-methylphenyl)pyrazine;1-[4-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;3-(2-methoxy-3-methylphenyl)pyridazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 157821643
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 159021626
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)pyrazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 159793171
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;methane;1-[4-(2-methoxy-3-methylphenyl)-2H-imidazol-2-yl]-2-methylpropan-2-ol;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;3-(2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(2-methoxy-3-methylphenyl)pyrazine;3-(2-methoxy-3-methylphenyl)pyridazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 159822905
1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 159918552
1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 160708253
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;3-(2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(2-methoxy-3-methylphenyl)pyrazine;1-[4-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;3-(2-methoxy-3-methylphenyl)pyridazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 161608744
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;methane;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;3-(2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);2-(2-methoxy-3-methylphenyl)-4-methylpyrimidine;2-(2-methoxy-3-methylphenyl)pyrazine;1-[4-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;3-(2-methoxy-3-methylphenyl)pyridazine;2-(2-methoxy-3-methylphenyl)pyridine;5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 161719539
1-ethynyl-2-methoxy-3-methylbenzene;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;2-methyl-5-(3-methyl-2-methylsulfanylphenyl)-1,3,4-oxadiazole
CID 161877269
N-cyclopropyl-2-methoxy-3-methylbenzamide;1-ethynyl-2-methoxy-3-methylbenzene;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 161878761
1-ethynyl-2-methoxy-3-methylbenzene;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;methane;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-oxadiazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;4-(2-methoxy-3-methylphenyl)-1H-pyrazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 162182279

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 158385074) is 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is COc1c(C)cccc1-c1cncs1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(C)c1.COc1c(C)cccc1-c1cnn(CC(F)(F)F)c1.COc1c(C)cccc1-c1cnn(CC(F)F)c1.COc1c(C)cccc1-c1cnn(CCF)c1.COc1c(C)cccc1-c1ncc(C)[nH]1.COc1c(C)cccc1C(=O)NCCC(C)(C)O.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is GWGPHDBPTHTTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C13H13F3N2O.C13H14F2N2O.C13H15FN2O.3C12H14N2O.C11H11NOS/c1-10-6-5-7-11(12(10)18-4)13(16)15-9-8-14(2,3)17;1-9-4-3-5-11(12(9)19-2)10-6-17-18(7-10)8-13(14,15)16;1-9-4-3-5-11(13(9)18-2)10-6-16-17(7-10)8-12(14)15;1-10-4-3-5-12(13(10)17-2)11-8-15-16(9-11)7-6-14;2*1-9-5-4-6-11(12(9)15-3)10-7-13-14(2)8-10;1-8-5-4-6-10(11(8)15-3)12-13-7-9(2)14-12;1-8-4-3-5-9(11(8)13-2)10-6-12-7-14-10/h5-7,17H,8-9H2,1-4H3,(H,15,16);3-7H,8H2,1-2H3;3-7,12H,8H2,1-2H3;3-5,8-9H,6-7H2,1-2H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,13,14);3-7H,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole?
1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 1820.17 g/mol, XLogP of 21.93, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;1-(2-fluoroethyl)-4-(2-methoxy-3-methylphenyl)pyrazole;N-(3-hydroxy-3-methylbutyl)-2-methoxy-3-methylbenzamide;2-(2-methoxy-3-methylphenyl)-5-methyl-1H-imidazole;bis(4-(2-methoxy-3-methylphenyl)-1-methylpyrazole);5-(2-methoxy-3-methylphenyl)-1,3-thiazole;4-(2-methoxy-3-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 158385074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).