5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C261H285Cl5N52O15 — CID 159658319

IUPAC5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)ccc1O.Cc1ccc(CCc2[nH]nc(N3CCC(N4CCC(C)CC4)CC3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(C)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(Cl)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCCCC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cn1.Cc1ccc(CNc2n[nH]c(Cc3ccc(-c4ccn[nH]4)cc3)c2C(N)=O)cc1.Cc1ccc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc1.Cc1ncc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cn1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(Cc2ccccc2)cc1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1cccnc1Cl
InChIInChI=1S/C26H34N6O.C26H25N3O2.C25H30N4O.C24H35N5O.C24H24N4O.C22H22N6O.C20H20ClN3O2.C20H22N4O.2C19H19ClN4O.C18H18ClN5O.C18H17ClN4O2/c1-18(2)31-12-14-32(15-13-31)22-10-8-20(9-11-22)16-23-24(25(27)33)26(30-29-23)28-17-21-6-4-19(3)5-7-21;27-26(31)25-23(15-12-18-10-13-22(30)14-11-18)28-29-24(25)17-21-8-6-20(7-9-21)16-19-4-2-1-3-5-19;1-18-5-7-19(8-6-18)11-14-22-24(25(26)30)23(28-27-22)17-20-9-12-21(13-10-20)29-15-3-2-4-16-29;1-17-3-5-19(6-4-17)7-8-21-22(23(25)30)24(27-26-21)29-15-11-20(12-16-29)28-13-9-18(2)10-14-28;1-17-4-6-18(7-5-17)10-13-21-23(24(25)29)22(27-26-21)16-19-8-11-20(12-9-19)28-14-2-3-15-28;1-14-2-4-16(5-3-14)13-24-22-20(21(23)29)19(27-28-22)12-15-6-8-17(9-7-15)18-10-11-25-26-18;1-12-9-13(6-8-18(12)25)5-7-16-19(20(22)26)17(24-23-16)11-14-3-2-4-15(21)10-14;1-13-3-6-15(7-4-13)9-10-17-19(20(21)25)18(24-23-17)11-16-8-5-14(2)22-12-16;1-12-2-4-13(5-3-12)6-8-15-18(19(21)25)16(24-23-15)10-14-7-9-17(20)22-11-14;1-12-5-6-13(11-22-12)7-8-16-18(19(21)25)17(24-23-16)10-14-3-2-4-15(20)9-14;1-11-21-9-13(10-22-11)5-6-15-17(18(20)25)16(24-23-15)8-12-3-2-4-14(19)7-12;19-17-12(2-1-9-21-17)10-15-16(18(20)25)14(22-23-15)8-5-11-3-6-13(24)7-4-11/h4-11,18H,12-17H2,1-3H3,(H2,27,33)(H2,28,29,30);1-11,13-14,30H,12,15-17H2,(H2,27,31)(H,28,29);5-10,12-13H,2-4,11,14-17H2,1H3,(H2,26,30)(H,27,28);3-6,18,20H,7-16H2,1-2H3,(H2,25,30)(H,26,27);2-9,11-12,14-15H,10,13,16H2,1H3,(H2,25,29)(H,26,27);2-11H,12-13H2,1H3,(H2,23,29)(H,25,26)(H2,24,27,28);2-4,6,8-10,25H,5,7,11H2,1H3,(H2,22,26)(H,23,24);3-8,12H,9-11H2,1-2H3,(H2,21,25)(H,23,24);2-5,7,9,11H,6,8,10H2,1H3,(H2,21,25)(H,23,24);2-6,9,11H,7-8,10H2,1H3,(H2,21,25)(H,23,24);2-4,7,9-10H,5-6,8H2,1H3,(H2,20,25)(H,23,24);1-4,6-7,9,24H,5,8,10H2,(H2,20,25)(H,22,23)
InChIKeyMSLPKNRSCAKYMB-UHFFFAOYSA-N
MW4567.76 g/mol
LogP40.82
Rot. Bonds79

About 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 159658319) has the molecular formula C261H285Cl5N52O15 and a molecular weight of 4567.76 g/mol. Its IUPAC name is 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID159658319
Molecular FormulaC261H285Cl5N52O15
Molecular Weight4567.76 g/mol
Exact Mass4562.16
IUPAC Name5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)ccc1O.Cc1ccc(CCc2[nH]nc(N3CCC(N4CCC(C)CC4)CC3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(C)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(Cl)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCCCC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cn1.Cc1ccc(CNc2n[nH]c(Cc3ccc(-c4ccn[nH]4)cc3)c2C(N)=O)cc1.Cc1ccc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc1.Cc1ncc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cn1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(Cc2ccccc2)cc1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1cccnc1Cl
InChIInChI=1S/C26H34N6O.C26H25N3O2.C25H30N4O.C24H35N5O.C24H24N4O.C22H22N6O.C20H20ClN3O2.C20H22N4O.2C19H19ClN4O.C18H18ClN5O.C18H17ClN4O2/c1-18(2)31-12-14-32(15-13-31)22-10-8-20(9-11-22)16-23-24(25(27)33)26(30-29-23)28-17-21-6-4-19(3)5-7-21;27-26(31)25-23(15-12-18-10-13-22(30)14-11-18)28-29-24(25)17-21-8-6-20(7-9-21)16-19-4-2-1-3-5-19;1-18-5-7-19(8-6-18)11-14-22-24(25(26)30)23(28-27-22)17-20-9-12-21(13-10-20)29-15-3-2-4-16-29;1-17-3-5-19(6-4-17)7-8-21-22(23(25)30)24(27-26-21)29-15-11-20(12-16-29)28-13-9-18(2)10-14-28;1-17-4-6-18(7-5-17)10-13-21-23(24(25)29)22(27-26-21)16-19-8-11-20(12-9-19)28-14-2-3-15-28;1-14-2-4-16(5-3-14)13-24-22-20(21(23)29)19(27-28-22)12-15-6-8-17(9-7-15)18-10-11-25-26-18;1-12-9-13(6-8-18(12)25)5-7-16-19(20(22)26)17(24-23-16)11-14-3-2-4-15(21)10-14;1-13-3-6-15(7-4-13)9-10-17-19(20(21)25)18(24-23-17)11-16-8-5-14(2)22-12-16;1-12-2-4-13(5-3-12)6-8-15-18(19(21)25)16(24-23-15)10-14-7-9-17(20)22-11-14;1-12-5-6-13(11-22-12)7-8-16-18(19(21)25)17(24-23-16)10-14-3-2-4-15(20)9-14;1-11-21-9-13(10-22-11)5-6-15-17(18(20)25)16(24-23-15)8-12-3-2-4-14(19)7-12;19-17-12(2-1-9-21-17)10-15-16(18(20)25)14(22-23-15)8-5-11-3-6-13(24)7-4-11/h4-11,18H,12-17H2,1-3H3,(H2,27,33)(H2,28,29,30);1-11,13-14,30H,12,15-17H2,(H2,27,31)(H,28,29);5-10,12-13H,2-4,11,14-17H2,1H3,(H2,26,30)(H,27,28);3-6,18,20H,7-16H2,1-2H3,(H2,25,30)(H,26,27);2-9,11-12,14-15H,10,13,16H2,1H3,(H2,25,29)(H,26,27);2-11H,12-13H2,1H3,(H2,23,29)(H,25,26)(H2,24,27,28);2-4,6,8-10,25H,5,7,11H2,1H3,(H2,22,26)(H,23,24);3-8,12H,9-11H2,1-2H3,(H2,21,25)(H,23,24);2-5,7,9,11H,6,8,10H2,1H3,(H2,21,25)(H,23,24);2-6,9,11H,7-8,10H2,1H3,(H2,21,25)(H,23,24);2-4,7,9-10H,5-6,8H2,1H3,(H2,20,25)(H,23,24);1-4,6-7,9,24H,5,8,10H2,(H2,20,25)(H,22,23)
InChIKeyMSLPKNRSCAKYMB-UHFFFAOYSA-N
XLogP40.82
TPSA1073.14 Ų
H-Bond Donors30
H-Bond Acceptors42
Rotatable Bonds79
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004567.76
LogP ≤ 540.82
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1042

Analyze 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 159658319) is 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)ccc1O.Cc1ccc(CCc2[nH]nc(N3CCC(N4CCC(C)CC4)CC3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(C)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(Cl)nc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3ccc(N4CCCCC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cn1.Cc1ccc(CNc2n[nH]c(Cc3ccc(-c4ccn[nH]4)cc3)c2C(N)=O)cc1.Cc1ccc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc1.Cc1ncc(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)cn1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1ccc(Cc2ccccc2)cc1.NC(=O)c1c(CCc2ccc(O)cc2)n[nH]c1Cc1cccnc1Cl.
What is the InChIKey of 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MSLPKNRSCAKYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O.C26H25N3O2.C25H30N4O.C24H35N5O.C24H24N4O.C22H22N6O.C20H20ClN3O2.C20H22N4O.2C19H19ClN4O.C18H18ClN5O.C18H17ClN4O2/c1-18(2)31-12-14-32(15-13-31)22-10-8-20(9-11-22)16-23-24(25(27)33)26(30-29-23)28-17-21-6-4-19(3)5-7-21;27-26(31)25-23(15-12-18-10-13-22(30)14-11-18)28-29-24(25)17-21-8-6-20(7-9-21)16-19-4-2-1-3-5-19;1-18-5-7-19(8-6-18)11-14-22-24(25(26)30)23(28-27-22)17-20-9-12-21(13-10-20)29-15-3-2-4-16-29;1-17-3-5-19(6-4-17)7-8-21-22(23(25)30)24(27-26-21)29-15-11-20(12-16-29)28-13-9-18(2)10-14-28;1-17-4-6-18(7-5-17)10-13-21-23(24(25)29)22(27-26-21)16-19-8-11-20(12-9-19)28-14-2-3-15-28;1-14-2-4-16(5-3-14)13-24-22-20(21(23)29)19(27-28-22)12-15-6-8-17(9-7-15)18-10-11-25-26-18;1-12-9-13(6-8-18(12)25)5-7-16-19(20(22)26)17(24-23-16)11-14-3-2-4-15(21)10-14;1-13-3-6-15(7-4-13)9-10-17-19(20(21)25)18(24-23-17)11-16-8-5-14(2)22-12-16;1-12-2-4-13(5-3-12)6-8-15-18(19(21)25)16(24-23-15)10-14-7-9-17(20)22-11-14;1-12-5-6-13(11-22-12)7-8-16-18(19(21)25)17(24-23-16)10-14-3-2-4-15(20)9-14;1-11-21-9-13(10-22-11)5-6-15-17(18(20)25)16(24-23-15)8-12-3-2-4-14(19)7-12;19-17-12(2-1-9-21-17)10-15-16(18(20)25)14(22-23-15)8-5-11-3-6-13(24)7-4-11/h4-11,18H,12-17H2,1-3H3,(H2,27,33)(H2,28,29,30);1-11,13-14,30H,12,15-17H2,(H2,27,31)(H,28,29);5-10,12-13H,2-4,11,14-17H2,1H3,(H2,26,30)(H,27,28);3-6,18,20H,7-16H2,1-2H3,(H2,25,30)(H,26,27);2-9,11-12,14-15H,10,13,16H2,1H3,(H2,25,29)(H,26,27);2-11H,12-13H2,1H3,(H2,23,29)(H,25,26)(H2,24,27,28);2-4,6,8-10,25H,5,7,11H2,1H3,(H2,22,26)(H,23,24);3-8,12H,9-11H2,1-2H3,(H2,21,25)(H,23,24);2-5,7,9,11H,6,8,10H2,1H3,(H2,21,25)(H,23,24);2-6,9,11H,7-8,10H2,1H3,(H2,21,25)(H,23,24);2-4,7,9-10H,5-6,8H2,1H3,(H2,20,25)(H,23,24);1-4,6-7,9,24H,5,8,10H2,(H2,20,25)(H,22,23).
What are the key properties of 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 4567.76 g/mol, XLogP of 40.82, 79 rotatable bonds, 30 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylphenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(2-methylpyrimidin-5-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[2-(4-methylphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-methylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 159658319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).