N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)

C180H251Cl2N29O30S7 — CID 160993041

IUPACN-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
SMILESCCCc1ccc(-c2c(C#N)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)c(OC)c1.CCCc1ccc(-c2c(C#N)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.CCn1nc(C(=O)NCC2(N)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)C)cc1OC.COc1cc(NC(C)C)ccc1-c1c(Cl)c(C(=O)NCC2CCC(C)CC2)nn1CCC#N.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H38N4O3.C27H38N4O2.C26H36N4O2.C25H34ClN5O2.C25H37ClN4O2.C25H34N4O3.C25H34N4O2.7O2S/c1-7-31-24(20-9-8-19(14-22(20)34-6)15-26(3,4)5)21(16-28)23(30-31)25(32)29-17-27(33)12-10-18(2)11-13-27;1-7-31-25(21-13-12-20(14-23(21)33-6)15-27(3,4)5)22(16-28)24(30-31)26(32)29-17-19-10-8-18(2)9-11-19;1-6-30-25(21-12-11-20(13-17(2)3)14-23(21)32-5)22(15-27)24(29-30)26(31)28-16-19-9-7-18(4)8-10-19;1-16(2)29-19-10-11-20(21(14-19)33-4)24-22(26)23(30-31(24)13-5-12-27)25(32)28-15-18-8-6-17(3)7-9-18;1-6-30-23(19-8-7-18(13-16(2)3)14-20(19)32-5)21(26)22(29-30)24(31)28-15-25(27)11-9-17(4)10-12-25;1-5-7-18-8-9-19(21(14-18)32-4)23-20(15-26)22(28-29(23)6-2)24(30)27-16-25(31)12-10-17(3)11-13-25;1-5-7-18-12-13-20(22(14-18)31-4)24-21(15-26)23(28-29(24)6-2)25(30)27-16-19-10-8-17(3)9-11-19;7*1-3-2/h8-9,14,18,33H,7,10-13,15,17H2,1-6H3,(H,29,32);12-14,18-19H,7-11,15,17H2,1-6H3,(H,29,32);11-12,14,17-19H,6-10,13,16H2,1-5H3,(H,28,31);10-11,14,16-18,29H,5-9,13,15H2,1-4H3,(H,28,32);7-8,14,16-17H,6,9-13,15,27H2,1-5H3,(H,28,31);8-9,14,17,31H,5-7,10-13,16H2,1-4H3,(H,27,30);12-14,17,19H,5-11,16H2,1-4H3,(H,27,30);;;;;;;
InChIKeyTUWVERMVTOOEGB-UHFFFAOYSA-N
MW3596.54 g/mol
LogP30.42
Rot. Bonds55

About N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)

N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) (PubChem CID 160993041) has the molecular formula C180H251Cl2N29O30S7 and a molecular weight of 3596.54 g/mol. Its IUPAC name is N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide).

Molecular Properties

Compound NameN-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
PubChem CID160993041
Molecular FormulaC180H251Cl2N29O30S7
Molecular Weight3596.54 g/mol
Exact Mass3592.64
IUPAC NameN-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
SMILESCCCc1ccc(-c2c(C#N)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)c(OC)c1.CCCc1ccc(-c2c(C#N)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.CCn1nc(C(=O)NCC2(N)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)C)cc1OC.COc1cc(NC(C)C)ccc1-c1c(Cl)c(C(=O)NCC2CCC(C)CC2)nn1CCC#N.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H38N4O3.C27H38N4O2.C26H36N4O2.C25H34ClN5O2.C25H37ClN4O2.C25H34N4O3.C25H34N4O2.7O2S/c1-7-31-24(20-9-8-19(14-22(20)34-6)15-26(3,4)5)21(16-28)23(30-31)25(32)29-17-27(33)12-10-18(2)11-13-27;1-7-31-25(21-13-12-20(14-23(21)33-6)15-27(3,4)5)22(16-28)24(30-31)26(32)29-17-19-10-8-18(2)9-11-19;1-6-30-25(21-12-11-20(13-17(2)3)14-23(21)32-5)22(15-27)24(29-30)26(31)28-16-19-9-7-18(4)8-10-19;1-16(2)29-19-10-11-20(21(14-19)33-4)24-22(26)23(30-31(24)13-5-12-27)25(32)28-15-18-8-6-17(3)7-9-18;1-6-30-23(19-8-7-18(13-16(2)3)14-20(19)32-5)21(26)22(29-30)24(31)28-15-25(27)11-9-17(4)10-12-25;1-5-7-18-8-9-19(21(14-18)32-4)23-20(15-26)22(28-29(23)6-2)24(30)27-16-25(31)12-10-17(3)11-13-25;1-5-7-18-12-13-20(22(14-18)31-4)24-21(15-26)23(28-29(24)6-2)25(30)27-16-19-10-8-17(3)9-11-19;7*1-3-2/h8-9,14,18,33H,7,10-13,15,17H2,1-6H3,(H,29,32);12-14,18-19H,7-11,15,17H2,1-6H3,(H,29,32);11-12,14,17-19H,6-10,13,16H2,1-5H3,(H,28,31);10-11,14,16-18,29H,5-9,13,15H2,1-4H3,(H,28,32);7-8,14,16-17H,6,9-13,15,27H2,1-5H3,(H,28,31);8-9,14,17,31H,5-7,10-13,16H2,1-4H3,(H,27,30);12-14,17,19H,5-11,16H2,1-4H3,(H,27,30);;;;;;;
InChIKeyTUWVERMVTOOEGB-UHFFFAOYSA-N
XLogP30.42
TPSA853.28 Ų
H-Bond Donors11
H-Bond Acceptors52
Rotatable Bonds55
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003596.54
LogP ≤ 530.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1052

Analyze N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-N-[(1-cyano-4-methylcyclohexyl)methyl]-5-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-4-(2-methylpropyl)phenyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-4-(2-methylpropyl)phenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-4-(2-methylpropyl)phenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;1,4-diethyl-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;1-ethyl-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylpyrazole-3-carboxamide;octakis(sulfur dioxide)
CID 158021040
4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 160993042
N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]pyrazole-3-carboxamide
CID 153296254
4-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1-propylpyrazole-3-carboxamide
CID 153296030
CID 158697524
CID 158697524
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 158708472
4-chloro-1-ethyl-5-[4-[[(1S)-2-fluoro-2-methylcyclopropyl]methoxy]-2-methoxyphenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-[[(1R)-2-fluoro-2-methylcyclopropyl]methoxy]-2-methoxyphenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-[(2-fluoro-2-methylcyclopropyl)methoxy]-2-methoxyphenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-(2-fluoro-2-methylpropoxy)-2-methoxyphenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[2-methoxy-4-[(1-methylcyclopropyl)methoxy]phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-(2-methoxy-4-propan-2-yloxyphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-(2-methoxy-4-propoxyphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;octakis(sulfur dioxide)
CID 158880405
5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153295935
4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]-5-[2-propan-2-yloxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]pyrazole-3-carboxamide
CID 153295893
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 158708473
1-ethyl-5-[2-methoxy-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;sulfur dioxide
CID 160964994
4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropoxy)-4-methoxy-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
CID 159297533

Frequently Asked Questions

What is the IUPAC name of N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The IUPAC name of N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) (CID 160993041) is N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide).
What is the SMILES notation for N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The canonical SMILES for N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) is CCCc1ccc(-c2c(C#N)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)c(OC)c1.CCCc1ccc(-c2c(C#N)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.CCn1nc(C(=O)NCC2(N)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C#N)c1-c1ccc(CC(C)C)cc1OC.COc1cc(NC(C)C)ccc1-c1c(Cl)c(C(=O)NCC2CCC(C)CC2)nn1CCC#N.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.
What is the InChIKey of N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The InChIKey is TUWVERMVTOOEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O3.C27H38N4O2.C26H36N4O2.C25H34ClN5O2.C25H37ClN4O2.C25H34N4O3.C25H34N4O2.7O2S/c1-7-31-24(20-9-8-19(14-22(20)34-6)15-26(3,4)5)21(16-28)23(30-31)25(32)29-17-27(33)12-10-18(2)11-13-27;1-7-31-25(21-13-12-20(14-23(21)33-6)15-27(3,4)5)22(16-28)24(30-31)26(32)29-17-19-10-8-18(2)9-11-19;1-6-30-25(21-12-11-20(13-17(2)3)14-23(21)32-5)22(15-27)24(29-30)26(31)28-16-19-9-7-18(4)8-10-19;1-16(2)29-19-10-11-20(21(14-19)33-4)24-22(26)23(30-31(24)13-5-12-27)25(32)28-15-18-8-6-17(3)7-9-18;1-6-30-23(19-8-7-18(13-16(2)3)14-20(19)32-5)21(26)22(29-30)24(31)28-15-25(27)11-9-17(4)10-12-25;1-5-7-18-8-9-19(21(14-18)32-4)23-20(15-26)22(28-29(23)6-2)24(30)27-16-25(31)12-10-17(3)11-13-25;1-5-7-18-12-13-20(22(14-18)31-4)24-21(15-26)23(28-29(24)6-2)25(30)27-16-19-10-8-17(3)9-11-19;7*1-3-2/h8-9,14,18,33H,7,10-13,15,17H2,1-6H3,(H,29,32);12-14,18-19H,7-11,15,17H2,1-6H3,(H,29,32);11-12,14,17-19H,6-10,13,16H2,1-5H3,(H,28,31);10-11,14,16-18,29H,5-9,13,15H2,1-4H3,(H,28,32);7-8,14,16-17H,6,9-13,15,27H2,1-5H3,(H,28,31);8-9,14,17,31H,5-7,10-13,16H2,1-4H3,(H,27,30);12-14,17,19H,5-11,16H2,1-4H3,(H,27,30);;;;;;;.
What are the key properties of N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) has a molecular weight of 3596.54 g/mol, XLogP of 30.42, 55 rotatable bonds, 11 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-amino-4-methylcyclohexyl)methyl]-4-chloro-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]pyrazole-3-carboxamide;4-chloro-1-(2-cyanoethyl)-5-[2-methoxy-4-(propan-2-ylamino)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-5-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-(2-methoxy-4-propylphenyl)pyrazole-3-carboxamide;4-cyano-1-ethyl-5-[2-methoxy-4-(2-methylpropyl)phenyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-cyano-1-ethyl-5-(2-methoxy-4-propylphenyl)-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) is sourced from PubChem (CID 160993041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).