5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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

C202H222Cl7N37O12S — CID 159396327

IUPAC5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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
SMILESCC(C)c1ccc(CO)c(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1.Cc1ccc(CCc2[nH]nc(N3CCC(N4CCC(C)CC4)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(N4CCN(C)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3Cl)c2C(N)=O)cc1.NC(=O)c1c(CCC2=CCC=C2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCCc2ccccc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccco2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cccs2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C25H31N5O.C24H35N5O.C23H26ClN3O2.C20H20ClN3O.C20H22N4O.2C19H19ClN4O.C18H18ClN3O.C17H16ClN3O2.C17H16ClN3OS/c1-18-3-5-19(6-4-18)9-12-22-24(25(26)31)23(28-27-22)17-20-7-10-21(11-8-20)30-15-13-29(2)14-16-30;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;1-14(2)16-6-7-18(13-28)17(12-16)8-9-20-22(23(25)29)21(27-26-20)11-15-4-3-5-19(24)10-15;21-16-10-4-9-15(12-16)13-18-19(20(22)25)17(23-24-18)11-5-8-14-6-2-1-3-7-14;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;1-12-4-6-13(7-5-12)8-9-15-17(19(21)25)16(24-23-15)11-14-3-2-10-22-18(14)20;19-14-7-3-6-13(10-14)11-16-17(18(20)23)15(21-22-16)9-8-12-4-1-2-5-12;2*18-12-4-1-3-11(9-12)10-15-16(17(19)22)14(20-21-15)7-6-13-5-2-8-23-13/h3-8,10-11H,9,12-17H2,1-2H3,(H2,26,31)(H,27,28);3-6,18,20H,7-16H2,1-2H3,(H2,25,30)(H,26,27);3-7,10,12,14,28H,8-9,11,13H2,1-2H3,(H2,25,29)(H,26,27);1-4,6-7,9-10,12H,5,8,11,13H2,(H2,22,25)(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);2-7,10H,8-9,11H2,1H3,(H2,21,25)(H,23,24);1,3-7,10H,2,8-9,11H2,(H2,20,23)(H,21,22);2*1-5,8-9H,6-7,10H2,(H2,19,22)(H,20,21)
InChIKeyLMTMCFRADJQJFT-UHFFFAOYSA-N
MW3640.48 g/mol
LogP34.01
Rot. Bonds64

About 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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

5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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 (PubChem CID 159396327) has the molecular formula C202H222Cl7N37O12S and a molecular weight of 3640.48 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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
PubChem CID159396327
Molecular FormulaC202H222Cl7N37O12S
Molecular Weight3640.48 g/mol
Exact Mass3634.54
IUPAC Name5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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
SMILESCC(C)c1ccc(CO)c(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1.Cc1ccc(CCc2[nH]nc(N3CCC(N4CCC(C)CC4)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(N4CCN(C)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3Cl)c2C(N)=O)cc1.NC(=O)c1c(CCC2=CCC=C2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCCc2ccccc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccco2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cccs2)n[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C25H31N5O.C24H35N5O.C23H26ClN3O2.C20H20ClN3O.C20H22N4O.2C19H19ClN4O.C18H18ClN3O.C17H16ClN3O2.C17H16ClN3OS/c1-18-3-5-19(6-4-18)9-12-22-24(25(26)31)23(28-27-22)17-20-7-10-21(11-8-20)30-15-13-29(2)14-16-30;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;1-14(2)16-6-7-18(13-28)17(12-16)8-9-20-22(23(25)29)21(27-26-20)11-15-4-3-5-19(24)10-15;21-16-10-4-9-15(12-16)13-18-19(20(22)25)17(23-24-18)11-5-8-14-6-2-1-3-7-14;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;1-12-4-6-13(7-5-12)8-9-15-17(19(21)25)16(24-23-15)11-14-3-2-10-22-18(14)20;19-14-7-3-6-13(10-14)11-16-17(18(20)23)15(21-22-16)9-8-12-4-1-2-5-12;2*18-12-4-1-3-11(9-12)10-15-16(17(19)22)14(20-21-15)7-6-13-5-2-8-23-13/h3-8,10-11H,9,12-17H2,1-2H3,(H2,26,31)(H,27,28);3-6,18,20H,7-16H2,1-2H3,(H2,25,30)(H,26,27);3-7,10,12,14,28H,8-9,11,13H2,1-2H3,(H2,25,29)(H,26,27);1-4,6-7,9-10,12H,5,8,11,13H2,(H2,22,25)(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);2-7,10H,8-9,11H2,1H3,(H2,21,25)(H,23,24);1,3-7,10H,2,8-9,11H2,(H2,20,23)(H,21,22);2*1-5,8-9H,6-7,10H2,(H2,19,22)(H,20,21)
InChIKeyLMTMCFRADJQJFT-UHFFFAOYSA-N
XLogP34.01
TPSA802.70 Ų
H-Bond Donors21
H-Bond Acceptors30
Rotatable Bonds64
Heavy Atoms259
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003640.48
LogP ≤ 534.01
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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 with MolForge

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Related Compounds

5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-hydroxyphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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
CID 158216475
5-[(3-chlorophenyl)methyl]-3-[(6-methyl-3-pyridinyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-methyl-1,3-thiazol-5-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(5-pyridin-2-ylthiophen-2-yl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(2-thiophen-2-ylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 158340376
5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-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;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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
CID 159854280
CID 160198495
CID 160198495

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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 (CID 159396327) is 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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 is CC(C)c1ccc(CO)c(CCc2n[nH]c(Cc3cccc(Cl)c3)c2C(N)=O)c1.Cc1ccc(CCc2[nH]nc(N3CCC(N4CCC(C)CC4)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(N4CCN(C)CC4)cc3)c2C(N)=O)cc1.Cc1ccc(CCc2n[nH]c(Cc3cccnc3Cl)c2C(N)=O)cc1.NC(=O)c1c(CCC2=CCC=C2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCCc2ccccc2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2ccco2)n[nH]c1Cc1cccc(Cl)c1.NC(=O)c1c(CCc2cccs2)n[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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?
The InChIKey is LMTMCFRADJQJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O.C24H35N5O.C23H26ClN3O2.C20H20ClN3O.C20H22N4O.2C19H19ClN4O.C18H18ClN3O.C17H16ClN3O2.C17H16ClN3OS/c1-18-3-5-19(6-4-18)9-12-22-24(25(26)31)23(28-27-22)17-20-7-10-21(11-8-20)30-15-13-29(2)14-16-30;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;1-14(2)16-6-7-18(13-28)17(12-16)8-9-20-22(23(25)29)21(27-26-20)11-15-4-3-5-19(24)10-15;21-16-10-4-9-15(12-16)13-18-19(20(22)25)17(23-24-18)11-5-8-14-6-2-1-3-7-14;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;1-12-4-6-13(7-5-12)8-9-15-17(19(21)25)16(24-23-15)11-14-3-2-10-22-18(14)20;19-14-7-3-6-13(10-14)11-16-17(18(20)23)15(21-22-16)9-8-12-4-1-2-5-12;2*18-12-4-1-3-11(9-12)10-15-16(17(19)22)14(20-21-15)7-6-13-5-2-8-23-13/h3-8,10-11H,9,12-17H2,1-2H3,(H2,26,31)(H,27,28);3-6,18,20H,7-16H2,1-2H3,(H2,25,30)(H,26,27);3-7,10,12,14,28H,8-9,11,13H2,1-2H3,(H2,25,29)(H,26,27);1-4,6-7,9-10,12H,5,8,11,13H2,(H2,22,25)(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);2-7,10H,8-9,11H2,1H3,(H2,21,25)(H,23,24);1,3-7,10H,2,8-9,11H2,(H2,20,23)(H,21,22);2*1-5,8-9H,6-7,10H2,(H2,19,22)(H,20,21).
What are the key properties of 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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?
5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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 has a molecular weight of 3640.48 g/mol, XLogP of 34.01, 64 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-3-(2-cyclopenta-1,4-dien-1-ylethyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-[2-[2-(hydroxymethyl)-5-propan-2-ylphenyl]ethyl]-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide;5-[(3-chlorophenyl)methyl]-3-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide;5-[(2-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;5-[(6-chloro-3-pyridinyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide;3-[2-(4-methylphenyl)ethyl]-5-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-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 is sourced from PubChem (CID 159396327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).