5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide

C255H248ClF7N40O22S — CID 159243758

IUPAC5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(Cc3[nH]nc(CCc4ccc(C)cc4)c3C(N)=O)cc2)c1.COc1ccccc1C(=O)Nc1ccc(Cc2[nH]nc(CCc3ccc(C)cc3)c2C(N)=O)cc1.Cc1cc(C)cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(C)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(CO)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccccc4OC(F)(F)F)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4sc5cc(F)ccc5c4Cl)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1
InChIInChI=1S/C29H24ClFN4O2S.2C28H25F3N4O3.3C28H28N4O3.C28H28N4O2.C20H22N4O.2C19H20N4O/c1-16-2-4-17(5-3-16)8-13-22-25(28(32)36)23(35-34-22)14-18-6-10-20(11-7-18)33-29(37)27-26(30)21-12-9-19(31)15-24(21)38-27;1-17-5-7-18(8-6-17)11-14-23-25(26(32)36)24(35-34-23)15-19-9-12-21(13-10-19)33-27(37)20-3-2-4-22(16-20)38-28(29,30)31;1-17-6-8-18(9-7-17)12-15-22-25(26(32)36)23(35-34-22)16-19-10-13-20(14-11-19)33-27(37)21-4-2-3-5-24(21)38-28(29,30)31;1-18-6-8-19(9-7-18)12-15-24-26(27(29)33)25(32-31-24)16-20-10-13-22(14-11-20)30-28(34)21-4-3-5-23(17-21)35-2;1-18-7-9-19(10-8-18)13-16-23-26(27(29)33)24(32-31-23)17-20-11-14-21(15-12-20)30-28(34)22-5-3-4-6-25(22)35-2;1-18-2-4-19(5-3-18)10-15-24-26(27(29)34)25(32-31-24)16-20-8-13-23(14-9-20)30-28(35)22-11-6-21(17-33)7-12-22;1-18-3-7-20(8-4-18)11-16-24-26(27(29)33)25(32-31-24)17-21-9-14-23(15-10-21)30-28(34)22-12-5-19(2)6-13-22;1-13-8-14(2)10-15(9-13)5-6-17-19(20(21)25)18(24-23-17)11-16-4-3-7-22-12-16;2*1-13-4-6-14(7-5-13)8-9-16-18(19(20)24)17(23-22-16)11-15-3-2-10-21-12-15/h2-7,9-12,15H,8,13-14H2,1H3,(H2,32,36)(H,33,37)(H,34,35);2-10,12-13,16H,11,14-15H2,1H3,(H2,32,36)(H,33,37)(H,34,35);2-11,13-14H,12,15-16H2,1H3,(H2,32,36)(H,33,37)(H,34,35);3-11,13-14,17H,12,15-16H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-12,14-15H,13,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);2-9,11-14,33H,10,15-17H2,1H3,(H2,29,34)(H,30,35)(H,31,32);3-10,12-15H,11,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,21,25)(H,23,24);2*2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,22,23)
InChIKeyKUKPIPKCKIPZIP-UHFFFAOYSA-N
MW4425.55 g/mol
LogP42.81
Rot. Bonds79

About 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide

5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 159243758) has the molecular formula C255H248ClF7N40O22S and a molecular weight of 4425.55 g/mol. Its IUPAC name is 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID159243758
Molecular FormulaC255H248ClF7N40O22S
Molecular Weight4425.55 g/mol
Exact Mass4421.88
IUPAC Name5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2ccc(Cc3[nH]nc(CCc4ccc(C)cc4)c3C(N)=O)cc2)c1.COc1ccccc1C(=O)Nc1ccc(Cc2[nH]nc(CCc3ccc(C)cc3)c2C(N)=O)cc1.Cc1cc(C)cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(C)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(CO)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccccc4OC(F)(F)F)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4sc5cc(F)ccc5c4Cl)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1
InChIInChI=1S/C29H24ClFN4O2S.2C28H25F3N4O3.3C28H28N4O3.C28H28N4O2.C20H22N4O.2C19H20N4O/c1-16-2-4-17(5-3-16)8-13-22-25(28(32)36)23(35-34-22)14-18-6-10-20(11-7-18)33-29(37)27-26(30)21-12-9-19(31)15-24(21)38-27;1-17-5-7-18(8-6-17)11-14-23-25(26(32)36)24(35-34-23)15-19-9-12-21(13-10-19)33-27(37)20-3-2-4-22(16-20)38-28(29,30)31;1-17-6-8-18(9-7-17)12-15-22-25(26(32)36)23(35-34-22)16-19-10-13-20(14-11-19)33-27(37)21-4-2-3-5-24(21)38-28(29,30)31;1-18-6-8-19(9-7-18)12-15-24-26(27(29)33)25(32-31-24)16-20-10-13-22(14-11-20)30-28(34)21-4-3-5-23(17-21)35-2;1-18-7-9-19(10-8-18)13-16-23-26(27(29)33)24(32-31-23)17-20-11-14-21(15-12-20)30-28(34)22-5-3-4-6-25(22)35-2;1-18-2-4-19(5-3-18)10-15-24-26(27(29)34)25(32-31-24)16-20-8-13-23(14-9-20)30-28(35)22-11-6-21(17-33)7-12-22;1-18-3-7-20(8-4-18)11-16-24-26(27(29)33)25(32-31-24)17-21-9-14-23(15-10-21)30-28(34)22-12-5-19(2)6-13-22;1-13-8-14(2)10-15(9-13)5-6-17-19(20(21)25)18(24-23-17)11-16-4-3-7-22-12-16;2*1-13-4-6-14(7-5-13)8-9-16-18(19(20)24)17(23-22-16)11-15-3-2-10-21-12-15/h2-7,9-12,15H,8,13-14H2,1H3,(H2,32,36)(H,33,37)(H,34,35);2-10,12-13,16H,11,14-15H2,1H3,(H2,32,36)(H,33,37)(H,34,35);2-11,13-14H,12,15-16H2,1H3,(H2,32,36)(H,33,37)(H,34,35);3-11,13-14,17H,12,15-16H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-12,14-15H,13,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);2-9,11-14,33H,10,15-17H2,1H3,(H2,29,34)(H,30,35)(H,31,32);3-10,12-15H,11,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,21,25)(H,23,24);2*2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,22,23)
InChIKeyKUKPIPKCKIPZIP-UHFFFAOYSA-N
XLogP42.81
TPSA1017.22 Ų
H-Bond Donors28
H-Bond Acceptors36
Rotatable Bonds79
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004425.55
LogP ≤ 542.81
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1036

Analyze 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 159243758) is 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide is COc1cccc(C(=O)Nc2ccc(Cc3[nH]nc(CCc4ccc(C)cc4)c3C(N)=O)cc2)c1.COc1ccccc1C(=O)Nc1ccc(Cc2[nH]nc(CCc3ccc(C)cc3)c2C(N)=O)cc1.Cc1cc(C)cc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)c1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(C)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(CO)cc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccccc4OC(F)(F)F)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4sc5cc(F)ccc5c4Cl)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3)c2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KUKPIPKCKIPZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN4O2S.2C28H25F3N4O3.3C28H28N4O3.C28H28N4O2.C20H22N4O.2C19H20N4O/c1-16-2-4-17(5-3-16)8-13-22-25(28(32)36)23(35-34-22)14-18-6-10-20(11-7-18)33-29(37)27-26(30)21-12-9-19(31)15-24(21)38-27;1-17-5-7-18(8-6-17)11-14-23-25(26(32)36)24(35-34-23)15-19-9-12-21(13-10-19)33-27(37)20-3-2-4-22(16-20)38-28(29,30)31;1-17-6-8-18(9-7-17)12-15-22-25(26(32)36)23(35-34-22)16-19-10-13-20(14-11-19)33-27(37)21-4-2-3-5-24(21)38-28(29,30)31;1-18-6-8-19(9-7-18)12-15-24-26(27(29)33)25(32-31-24)16-20-10-13-22(14-11-20)30-28(34)21-4-3-5-23(17-21)35-2;1-18-7-9-19(10-8-18)13-16-23-26(27(29)33)24(32-31-23)17-20-11-14-21(15-12-20)30-28(34)22-5-3-4-6-25(22)35-2;1-18-2-4-19(5-3-18)10-15-24-26(27(29)34)25(32-31-24)16-20-8-13-23(14-9-20)30-28(35)22-11-6-21(17-33)7-12-22;1-18-3-7-20(8-4-18)11-16-24-26(27(29)33)25(32-31-24)17-21-9-14-23(15-10-21)30-28(34)22-12-5-19(2)6-13-22;1-13-8-14(2)10-15(9-13)5-6-17-19(20(21)25)18(24-23-17)11-16-4-3-7-22-12-16;2*1-13-4-6-14(7-5-13)8-9-16-18(19(20)24)17(23-22-16)11-15-3-2-10-21-12-15/h2-7,9-12,15H,8,13-14H2,1H3,(H2,32,36)(H,33,37)(H,34,35);2-10,12-13,16H,11,14-15H2,1H3,(H2,32,36)(H,33,37)(H,34,35);2-11,13-14H,12,15-16H2,1H3,(H2,32,36)(H,33,37)(H,34,35);3-11,13-14,17H,12,15-16H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-12,14-15H,13,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);2-9,11-14,33H,10,15-17H2,1H3,(H2,29,34)(H,30,35)(H,31,32);3-10,12-15H,11,16-17H2,1-2H3,(H2,29,33)(H,30,34)(H,31,32);3-4,7-10,12H,5-6,11H2,1-2H3,(H2,21,25)(H,23,24);2*2-7,10,12H,8-9,11H2,1H3,(H2,20,24)(H,22,23).
What are the key properties of 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 4425.55 g/mol, XLogP of 42.81, 79 rotatable bonds, 28 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(3,5-dimethylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(3-methoxybenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;bis(3-[2-(4-methylphenyl)ethyl]-5-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide);3-[2-(4-methylphenyl)ethyl]-5-[[4-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 159243758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).