bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate

C208H213Cl15F7N29O16S4 — CID 158568171

IUPACbis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate
SMILESCC(C)c1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)cn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1ccc2ccncc2c1.CC(C)c1cc(Cl)ccc1-c1cccc2cnccc12.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1ccnnc1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)cn1.CCOC(=O)c1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1.CCOC(=O)c1cnn(-c2ccc(Cl)cc2C(C)C)c1
InChIInChI=1S/2C18H16ClN.C15H16ClFN2O2.C15H17ClN2O2.C13H12ClF3N2.2C13H14ClFN2O2S.C13H12ClFN2O2.2C13H15ClN2O2S.C13H13ClN2O2.3C13H13ClN2.C12H14ClN3/c1-12(2)18-10-16(19)5-6-17(18)14-4-3-13-7-8-20-11-15(13)9-14;1-12(2)18-10-14(19)6-7-17(18)16-5-3-4-13-11-20-9-8-15(13)16;1-4-21-15(20)10-7-18-19(8-10)12-6-5-11(16)14(17)13(12)9(2)3;1-4-20-15(19)11-8-17-18(9-11)14-6-5-12(16)7-13(14)10(2)3;1-8(2)12-5-10(14)3-4-11(12)9-6-18-19(7-9)13(15,16)17;2*1-8(2)12-11(5-4-10(14)13(12)15)17-7-9(6-16-17)20(3,18)19;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(5-16-17)13(18)19;2*1-9(2)12-6-10(14)4-5-13(12)16-8-11(7-15-16)19(3,17)18;1-8(2)11-5-10(14)3-4-12(11)16-7-9(6-15-16)13(17)18;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)13-7-11(14)3-4-12(13)10-5-6-15-16-8-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12/h2*3-12H,1-2H3;5-9H,4H2,1-3H3;5-10H,4H2,1-3H3;3-8H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3,(H,18,19);2*4-9H,1-3H3;3-8H,1-2H3,(H,17,18);3*3-9H,1-2H3;4-8H,1-3H3
InChIKeyHRSZBCFVFPSGKA-UHFFFAOYSA-N
MW4168.23 g/mol
LogP58.29
Rot. Bonds40

About bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate

bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate (PubChem CID 158568171) has the molecular formula C208H213Cl15F7N29O16S4 and a molecular weight of 4168.23 g/mol. Its IUPAC name is bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namebis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate
PubChem CID158568171
Molecular FormulaC208H213Cl15F7N29O16S4
Molecular Weight4168.23 g/mol
Exact Mass4158.08
IUPAC Namebis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate
SMILESCC(C)c1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)cn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1ccc2ccncc2c1.CC(C)c1cc(Cl)ccc1-c1cccc2cnccc12.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1ccnnc1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)cn1.CCOC(=O)c1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1.CCOC(=O)c1cnn(-c2ccc(Cl)cc2C(C)C)c1
InChIInChI=1S/2C18H16ClN.C15H16ClFN2O2.C15H17ClN2O2.C13H12ClF3N2.2C13H14ClFN2O2S.C13H12ClFN2O2.2C13H15ClN2O2S.C13H13ClN2O2.3C13H13ClN2.C12H14ClN3/c1-12(2)18-10-16(19)5-6-17(18)14-4-3-13-7-8-20-11-15(13)9-14;1-12(2)18-10-14(19)6-7-17(18)16-5-3-4-13-11-20-9-8-15(13)16;1-4-21-15(20)10-7-18-19(8-10)12-6-5-11(16)14(17)13(12)9(2)3;1-4-20-15(19)11-8-17-18(9-11)14-6-5-12(16)7-13(14)10(2)3;1-8(2)12-5-10(14)3-4-11(12)9-6-18-19(7-9)13(15,16)17;2*1-8(2)12-11(5-4-10(14)13(12)15)17-7-9(6-16-17)20(3,18)19;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(5-16-17)13(18)19;2*1-9(2)12-6-10(14)4-5-13(12)16-8-11(7-15-16)19(3,17)18;1-8(2)11-5-10(14)3-4-12(11)16-7-9(6-15-16)13(17)18;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)13-7-11(14)3-4-12(13)10-5-6-15-16-8-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12/h2*3-12H,1-2H3;5-9H,4H2,1-3H3;5-10H,4H2,1-3H3;3-8H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3,(H,18,19);2*4-9H,1-3H3;3-8H,1-2H3,(H,17,18);3*3-9H,1-2H3;4-8H,1-3H3
InChIKeyHRSZBCFVFPSGKA-UHFFFAOYSA-N
XLogP58.29
TPSA557.97 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds40
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004168.23
LogP ≤ 558.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate with MolForge

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Related Compounds

1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-chloro-1-methyl-7-propan-2-ylindole;4-chloro-1-(3-methylsulfonylcyclopenta-2,4-dien-1-yl)-2-propan-2-ylbenzene;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 159195225
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 159447976
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;4-(4-chloro-2-propan-2-ylphenyl)pyridine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 160601212
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;bis(3-(4-chloro-2-propan-2-ylphenyl)pyridazine);3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 160722576
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 160907242
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 161090815
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 161701911
1-(4-Chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 161939977
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole;N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole
CID 163821284
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 158962791
1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindole;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylic acid;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)triazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)triazole-4-carboxylate
CID 163793084

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate?
The IUPAC name of bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate (CID 158568171) is bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate is CC(C)c1c(-n2cc(C(=O)O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)cn2)ccc(Cl)c1F.CC(C)c1c(-n2cc(S(C)(=O)=O)cn2)ccc(Cl)c1F.CC(C)c1cc(Cl)ccc1-c1ccc2ccncc2c1.CC(C)c1cc(Cl)ccc1-c1cccc2cnccc12.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1ccnnc1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-c1cnn(C(F)(F)F)c1.CC(C)c1cc(Cl)ccc1-n1cc(C(=O)O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)cn1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)cn1.CCOC(=O)c1cnn(-c2ccc(Cl)c(F)c2C(C)C)c1.CCOC(=O)c1cnn(-c2ccc(Cl)cc2C(C)C)c1.
What is the InChIKey of bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate?
The InChIKey is HRSZBCFVFPSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16ClN.C15H16ClFN2O2.C15H17ClN2O2.C13H12ClF3N2.2C13H14ClFN2O2S.C13H12ClFN2O2.2C13H15ClN2O2S.C13H13ClN2O2.3C13H13ClN2.C12H14ClN3/c1-12(2)18-10-16(19)5-6-17(18)14-4-3-13-7-8-20-11-15(13)9-14;1-12(2)18-10-14(19)6-7-17(18)16-5-3-4-13-11-20-9-8-15(13)16;1-4-21-15(20)10-7-18-19(8-10)12-6-5-11(16)14(17)13(12)9(2)3;1-4-20-15(19)11-8-17-18(9-11)14-6-5-12(16)7-13(14)10(2)3;1-8(2)12-5-10(14)3-4-11(12)9-6-18-19(7-9)13(15,16)17;2*1-8(2)12-11(5-4-10(14)13(12)15)17-7-9(6-16-17)20(3,18)19;1-7(2)11-10(4-3-9(14)12(11)15)17-6-8(5-16-17)13(18)19;2*1-9(2)12-6-10(14)4-5-13(12)16-8-11(7-15-16)19(3,17)18;1-8(2)11-5-10(14)3-4-12(11)16-7-9(6-15-16)13(17)18;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)13-7-11(14)3-4-12(13)10-5-6-15-16-8-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12/h2*3-12H,1-2H3;5-9H,4H2,1-3H3;5-10H,4H2,1-3H3;3-8H,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3,(H,18,19);2*4-9H,1-3H3;3-8H,1-2H3,(H,17,18);3*3-9H,1-2H3;4-8H,1-3H3.
What are the key properties of bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate?
bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate has a molecular weight of 4168.23 g/mol, XLogP of 58.29, 40 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;5-(4-chloro-2-propan-2-ylphenyl)isoquinoline;7-(4-chloro-2-propan-2-ylphenyl)isoquinoline;bis(1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonylpyrazole);4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylic acid;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine;4-(4-chloro-2-propan-2-ylphenyl)-1-(trifluoromethyl)pyrazole;ethyl 1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)pyrazole-4-carboxylate;ethyl 1-(4-chloro-2-propan-2-ylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 158568171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).