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-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-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

C199H236Cl3F3N36O10 — CID 159143051

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-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-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(CCc3cc(F)cc(CO)c3)c2C(N)=O)cc1.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(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(N4CCOCC4)nc3)c2C(N)=O)cc1
InChIInChI=1S/C30H40N6O.C29H37N5O.C28H36N6O.C25H30ClN5O.C23H27N5O2.C22H24FN3O2.2C21H21ClFN3O/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;1-21-4-6-22(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;1-20-4-6-21(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;1-14-2-4-15(5-3-14)6-8-19-21(22(24)28)20(26-25-19)9-7-16-10-17(13-27)12-18(23)11-16;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/h3-6,8,10,20,22,25H,7,9,11-19H2,1-2H3,(H2,31,37)(H,33,34);4-9,11-12,25H,2-3,10,13-20H2,1H3,(H2,30,35)(H,31,32);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);2-5,10-12,27H,6-9,13H2,1H3,(H2,24,28)(H,25,26);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)
InChIKeyKIIGIQWBUSCTMB-UHFFFAOYSA-N
MW3455.67 g/mol
LogP29.60
Rot. Bonds60

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-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-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-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-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 159143051) has the molecular formula C199H236Cl3F3N36O10 and a molecular weight of 3455.67 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-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-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-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-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 CID159143051
Molecular FormulaC199H236Cl3F3N36O10
Molecular Weight3455.67 g/mol
Exact Mass3451.81
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-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-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(CCc3cc(F)cc(CO)c3)c2C(N)=O)cc1.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(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(N4CCOCC4)nc3)c2C(N)=O)cc1
InChIInChI=1S/C30H40N6O.C29H37N5O.C28H36N6O.C25H30ClN5O.C23H27N5O2.C22H24FN3O2.2C21H21ClFN3O/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;1-21-4-6-22(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;1-20-4-6-21(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;1-14-2-4-15(5-3-14)6-8-19-21(22(24)28)20(26-25-19)9-7-16-10-17(13-27)12-18(23)11-16;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/h3-6,8,10,20,22,25H,7,9,11-19H2,1-2H3,(H2,31,37)(H,33,34);4-9,11-12,25H,2-3,10,13-20H2,1H3,(H2,30,35)(H,31,32);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);2-5,10-12,27H,6-9,13H2,1H3,(H2,24,28)(H,25,26);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)
InChIKeyKIIGIQWBUSCTMB-UHFFFAOYSA-N
XLogP29.60
TPSA671.45 Ų
H-Bond Donors17
H-Bond Acceptors30
Rotatable Bonds60
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003455.67
LogP ≤ 529.60
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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-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-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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Related Compounds

[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chlorophenyl)methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-[2-(1,1-difluoroethyl)phenyl]methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 158617510
5-[(5-chloro-6-morpholin-4-yl-3-pyridinyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(3-methyl-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157209820
CID 158698638
CID 158698638
5-[[3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-pyridin-3-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160034423
5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyridin-3-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 161123076
3-[2-(4-chloro-3-fluorophenyl)ethyl]-5-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-[3-fluoro-5-(hydroxymethyl)phenyl]ethyl]-5-[2-(4-methylphenyl)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 161508655

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-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-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-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-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 159143051) 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-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-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-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-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-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-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(CCc3cc(F)cc(CO)c3)c2C(N)=O)cc1.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(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(N4CCOCC4)nc3)c2C(N)=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-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-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 KIIGIQWBUSCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O.C29H37N5O.C28H36N6O.C25H30ClN5O.C23H27N5O2.C22H24FN3O2.2C21H21ClFN3O/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;1-21-4-6-22(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;1-20-4-6-21(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;1-14-2-4-15(5-3-14)6-8-19-21(22(24)28)20(26-25-19)9-7-16-10-17(13-27)12-18(23)11-16;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/h3-6,8,10,20,22,25H,7,9,11-19H2,1-2H3,(H2,31,37)(H,33,34);4-9,11-12,25H,2-3,10,13-20H2,1H3,(H2,30,35)(H,31,32);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);2-5,10-12,27H,6-9,13H2,1H3,(H2,24,28)(H,25,26);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).
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-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-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-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-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 3455.67 g/mol, XLogP of 29.60, 60 rotatable bonds, 17 hydrogen bond donors, and 30 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-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-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 159143051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).