3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide

C256H293Cl3F3N47O14 — CID 158698638

IUPAC3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2[nH]nc(CCc3ccc(Cl)c(F)c3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(CCc3c(F)cccc3Cl)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(-c4cc(CO)c5ccccc5n4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCC(C)CC5)CC4)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCN(C)CC4)c(Cl)c3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCN(c5ncccn5)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCOCC4)nc3)c2C(N)=O)cc1.NC(=O)c1c(CCc2cc(F)cc(CO)c2)n[nH]c1CCc1ccc(O)cc1
InChIInChI=1S/C30H40N6O.C30H28N4O2.C29H37N5O.C28H31N7O.C28H36N6O.C25H30ClN5O.C23H27N5O2.2C21H21ClFN3O.C21H22FN3O3/c1-21-3-5-23(6-4-21)7-9-26-29(30(31)37)27(34-33-26)19-24-8-10-28(32-20-24)36-17-13-25(14-18-36)35-15-11-22(2)12-16-35;1-19-6-8-20(9-7-19)12-15-26-29(30(31)36)28(34-33-26)16-21-10-13-22(14-11-21)27-17-23(18-35)24-4-2-3-5-25(24)32-27;1-21-4-6-22(7-5-21)10-13-26-28(29(30)35)27(32-31-26)20-23-8-11-24(12-9-23)34-18-14-25(15-19-34)33-16-2-3-17-33;1-20-3-5-21(6-4-20)9-12-24-26(27(29)36)25(33-32-24)19-22-7-10-23(11-8-22)34-15-17-35(18-16-34)28-30-13-2-14-31-28;1-20-4-6-21(7-5-20)8-10-24-27(28(29)35)25(32-31-24)18-22-9-11-26(30-19-22)34-16-12-23(13-17-34)33-14-2-3-15-33;1-17-3-5-18(6-4-17)7-9-21-24(25(27)32)22(29-28-21)16-19-8-10-23(20(26)15-19)31-13-11-30(2)12-14-31;1-16-2-4-17(5-3-16)6-8-19-22(23(24)29)20(27-26-19)14-18-7-9-21(25-15-18)28-10-12-30-13-11-28;1-13-2-4-14(5-3-13)7-10-18-20(21(24)27)19(26-25-18)11-8-15-6-9-16(22)17(23)12-15;1-13-5-7-14(8-6-13)9-11-18-20(21(24)27)19(26-25-18)12-10-15-16(22)3-2-4-17(15)23;22-16-10-14(9-15(11-16)12-26)4-8-19-20(21(23)28)18(24-25-19)7-3-13-1-5-17(27)6-2-13/h3-6,8,10,20,22,25H,7,9,11-19H2,1-2H3,(H2,31,37)(H,33,34);2-11,13-14,17,35H,12,15-16,18H2,1H3,(H2,31,36)(H,33,34);4-9,11-12,25H,2-3,10,13-20H2,1H3,(H2,30,35)(H,31,32);2-8,10-11,13-14H,9,12,15-19H2,1H3,(H2,29,36)(H,32,33);4-7,9,11,19,23H,2-3,8,10,12-18H2,1H3,(H2,29,35)(H,31,32);3-6,8,10,15H,7,9,11-14,16H2,1-2H3,(H2,27,32)(H,28,29);2-5,7,9,15H,6,8,10-14H2,1H3,(H2,24,29)(H,26,27);2-6,9,12H,7-8,10-11H2,1H3,(H2,24,27)(H,25,26);2-8H,9-12H2,1H3,(H2,24,27)(H,25,26);1-2,5-6,9-11,26-27H,3-4,7-8,12H2,(H2,23,28)(H,24,25)
InChIKeyIHGHMPYJYODJFJ-UHFFFAOYSA-N
MW4415.83 g/mol
LogP37.21
Rot. Bonds76

About 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide

3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 158698638) has the molecular formula C256H293Cl3F3N47O14 and a molecular weight of 4415.83 g/mol. Its IUPAC name is 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID158698638
Molecular FormulaC256H293Cl3F3N47O14
Molecular Weight4415.83 g/mol
Exact Mass4411.27
IUPAC Name3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2[nH]nc(CCc3ccc(Cl)c(F)c3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(CCc3c(F)cccc3Cl)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(-c4cc(CO)c5ccccc5n4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCC(C)CC5)CC4)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCN(C)CC4)c(Cl)c3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCN(c5ncccn5)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCOCC4)nc3)c2C(N)=O)cc1.NC(=O)c1c(CCc2cc(F)cc(CO)c2)n[nH]c1CCc1ccc(O)cc1
InChIInChI=1S/C30H40N6O.C30H28N4O2.C29H37N5O.C28H31N7O.C28H36N6O.C25H30ClN5O.C23H27N5O2.2C21H21ClFN3O.C21H22FN3O3/c1-21-3-5-23(6-4-21)7-9-26-29(30(31)37)27(34-33-26)19-24-8-10-28(32-20-24)36-17-13-25(14-18-36)35-15-11-22(2)12-16-35;1-19-6-8-20(9-7-19)12-15-26-29(30(31)36)28(34-33-26)16-21-10-13-22(14-11-21)27-17-23(18-35)24-4-2-3-5-25(24)32-27;1-21-4-6-22(7-5-21)10-13-26-28(29(30)35)27(32-31-26)20-23-8-11-24(12-9-23)34-18-14-25(15-19-34)33-16-2-3-17-33;1-20-3-5-21(6-4-20)9-12-24-26(27(29)36)25(33-32-24)19-22-7-10-23(11-8-22)34-15-17-35(18-16-34)28-30-13-2-14-31-28;1-20-4-6-21(7-5-20)8-10-24-27(28(29)35)25(32-31-24)18-22-9-11-26(30-19-22)34-16-12-23(13-17-34)33-14-2-3-15-33;1-17-3-5-18(6-4-17)7-9-21-24(25(27)32)22(29-28-21)16-19-8-10-23(20(26)15-19)31-13-11-30(2)12-14-31;1-16-2-4-17(5-3-16)6-8-19-22(23(24)29)20(27-26-19)14-18-7-9-21(25-15-18)28-10-12-30-13-11-28;1-13-2-4-14(5-3-13)7-10-18-20(21(24)27)19(26-25-18)11-8-15-6-9-16(22)17(23)12-15;1-13-5-7-14(8-6-13)9-11-18-20(21(24)27)19(26-25-18)12-10-15-16(22)3-2-4-17(15)23;22-16-10-14(9-15(11-16)12-26)4-8-19-20(21(23)28)18(24-25-19)7-3-13-1-5-17(27)6-2-13/h3-6,8,10,20,22,25H,7,9,11-19H2,1-2H3,(H2,31,37)(H,33,34);2-11,13-14,17,35H,12,15-16,18H2,1H3,(H2,31,36)(H,33,34);4-9,11-12,25H,2-3,10,13-20H2,1H3,(H2,30,35)(H,31,32);2-8,10-11,13-14H,9,12,15-19H2,1H3,(H2,29,36)(H,32,33);4-7,9,11,19,23H,2-3,8,10,12-18H2,1H3,(H2,29,35)(H,31,32);3-6,8,10,15H,7,9,11-14,16H2,1-2H3,(H2,27,32)(H,28,29);2-5,7,9,15H,6,8,10-14H2,1H3,(H2,24,29)(H,26,27);2-6,9,12H,7-8,10-11H2,1H3,(H2,24,27)(H,25,26);2-8H,9-12H2,1H3,(H2,24,27)(H,25,26);1-2,5-6,9-11,26-27H,3-4,7-8,12H2,(H2,23,28)(H,24,25)
InChIKeyIHGHMPYJYODJFJ-UHFFFAOYSA-N
XLogP37.21
TPSA900.60 Ų
H-Bond Donors23
H-Bond Acceptors41
Rotatable Bonds76
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004415.83
LogP ≤ 537.21
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1041

Analyze 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide (CID 158698638) is 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CCc2[nH]nc(CCc3ccc(Cl)c(F)c3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(CCc3c(F)cccc3Cl)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(-c4cc(CO)c5ccccc5n4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCC(C)CC5)CC4)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCN(C)CC4)c(Cl)c3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCN(c5ncccn5)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCOCC4)nc3)c2C(N)=O)cc1.NC(=O)c1c(CCc2cc(F)cc(CO)c2)n[nH]c1CCc1ccc(O)cc1.
What is the InChIKey of 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IHGHMPYJYODJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O.C30H28N4O2.C29H37N5O.C28H31N7O.C28H36N6O.C25H30ClN5O.C23H27N5O2.2C21H21ClFN3O.C21H22FN3O3/c1-21-3-5-23(6-4-21)7-9-26-29(30(31)37)27(34-33-26)19-24-8-10-28(32-20-24)36-17-13-25(14-18-36)35-15-11-22(2)12-16-35;1-19-6-8-20(9-7-19)12-15-26-29(30(31)36)28(34-33-26)16-21-10-13-22(14-11-21)27-17-23(18-35)24-4-2-3-5-25(24)32-27;1-21-4-6-22(7-5-21)10-13-26-28(29(30)35)27(32-31-26)20-23-8-11-24(12-9-23)34-18-14-25(15-19-34)33-16-2-3-17-33;1-20-3-5-21(6-4-20)9-12-24-26(27(29)36)25(33-32-24)19-22-7-10-23(11-8-22)34-15-17-35(18-16-34)28-30-13-2-14-31-28;1-20-4-6-21(7-5-20)8-10-24-27(28(29)35)25(32-31-24)18-22-9-11-26(30-19-22)34-16-12-23(13-17-34)33-14-2-3-15-33;1-17-3-5-18(6-4-17)7-9-21-24(25(27)32)22(29-28-21)16-19-8-10-23(20(26)15-19)31-13-11-30(2)12-14-31;1-16-2-4-17(5-3-16)6-8-19-22(23(24)29)20(27-26-19)14-18-7-9-21(25-15-18)28-10-12-30-13-11-28;1-13-2-4-14(5-3-13)7-10-18-20(21(24)27)19(26-25-18)11-8-15-6-9-16(22)17(23)12-15;1-13-5-7-14(8-6-13)9-11-18-20(21(24)27)19(26-25-18)12-10-15-16(22)3-2-4-17(15)23;22-16-10-14(9-15(11-16)12-26)4-8-19-20(21(23)28)18(24-25-19)7-3-13-1-5-17(27)6-2-13/h3-6,8,10,20,22,25H,7,9,11-19H2,1-2H3,(H2,31,37)(H,33,34);2-11,13-14,17,35H,12,15-16,18H2,1H3,(H2,31,36)(H,33,34);4-9,11-12,25H,2-3,10,13-20H2,1H3,(H2,30,35)(H,31,32);2-8,10-11,13-14H,9,12,15-19H2,1H3,(H2,29,36)(H,32,33);4-7,9,11,19,23H,2-3,8,10,12-18H2,1H3,(H2,29,35)(H,31,32);3-6,8,10,15H,7,9,11-14,16H2,1-2H3,(H2,27,32)(H,28,29);2-5,7,9,15H,6,8,10-14H2,1H3,(H2,24,29)(H,26,27);2-6,9,12H,7-8,10-11H2,1H3,(H2,24,27)(H,25,26);2-8H,9-12H2,1H3,(H2,24,27)(H,25,26);1-2,5-6,9-11,26-27H,3-4,7-8,12H2,(H2,23,28)(H,24,25).
What are the key properties of 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide?
3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 4415.83 g/mol, XLogP of 37.21, 76 rotatable bonds, 23 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(2-chloro-6-fluorophenyl)ethyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[[4-[4-(hydroxymethyl)quinolin-2-yl]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158698638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).