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)

C207H291Cl6F12N27O36S8 — CID 158021040

IUPAC4-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)
SMILESCCc1c(C(=O)NCC2CCC(C)CC2)nn(CC)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2(C#N)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C(C)C)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H35ClF2N4O2.C27H42N4O2.C26H36ClF2N3O3.C26H36ClF2N3O2.C26H40N4O2.C25H34ClF2N3O4.C25H34ClF2N3O3.C25H34ClF2N3O2.8O2S/c1-6-34-23(19-8-7-18(14-26(3,4)5)13-20(19)36-25(29)30)21(28)22(33-34)24(35)32-16-27(15-31)11-9-17(2)10-12-27;1-8-31-26(22-14-13-21(29-18(4)5)15-23(22)33-7)24(17(2)3)25(30-31)27(32)28-16-20-11-9-19(6)10-12-20;1-6-32-22(18-8-7-17(14-25(3,4)5)13-19(18)35-24(28)29)20(27)21(31-32)23(33)30-15-26(34)11-9-16(2)10-12-26;1-6-32-23(19-12-11-18(14-26(3,4)5)13-20(19)34-25(28)29)21(27)22(31-32)24(33)30-15-17-9-7-16(2)8-10-17;1-7-21-24(26(31)27-16-19-11-9-18(5)10-12-19)29-30(8-2)25(21)22-14-13-20(28-17(3)4)15-23(22)32-6;1-5-31-22(17-7-6-16(10-14(2)3)12-18(17)35-24(27)28)20(26)21(30-31)23(33)29-13-25(34)9-8-15(4)11-19(25)32;1-5-31-22(18-7-6-17(12-15(2)3)13-19(18)34-24(27)28)20(26)21(30-31)23(32)29-14-25(33)10-8-16(4)9-11-25;1-5-31-23(19-11-10-18(12-15(2)3)13-20(19)33-25(27)28)21(26)22(30-31)24(32)29-14-17-8-6-16(4)7-9-17;8*1-3-2/h7-8,13,17,25H,6,9-12,14,16H2,1-5H3,(H,32,35);13-15,17-20,29H,8-12,16H2,1-7H3,(H,28,32);7-8,13,16,24,34H,6,9-12,14-15H2,1-5H3,(H,30,33);11-13,16-17,25H,6-10,14-15H2,1-5H3,(H,30,33);13-15,17-19,28H,7-12,16H2,1-6H3,(H,27,31);6-7,12,14-15,19,24,32,34H,5,8-11,13H2,1-4H3,(H,29,33);6-7,13,15-16,24,33H,5,8-12,14H2,1-4H3,(H,29,32);10-11,13,15-17,25H,5-9,12,14H2,1-4H3,(H,29,32);;;;;;;;/t;;;;;15-,19-,25-;;;;;;;;;;/m.....1........../s1
InChIKeyFGBICYFBNGDEGI-WLMPPUNJSA-N
MW4430.99 g/mol
LogP43.09
Rot. Bonds69

About 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)

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) (PubChem CID 158021040) has the molecular formula C207H291Cl6F12N27O36S8 and a molecular weight of 4430.99 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name4-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)
PubChem CID158021040
Molecular FormulaC207H291Cl6F12N27O36S8
Molecular Weight4430.99 g/mol
Exact Mass4424.75
IUPAC Name4-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)
SMILESCCc1c(C(=O)NCC2CCC(C)CC2)nn(CC)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2(C#N)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C(C)C)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H35ClF2N4O2.C27H42N4O2.C26H36ClF2N3O3.C26H36ClF2N3O2.C26H40N4O2.C25H34ClF2N3O4.C25H34ClF2N3O3.C25H34ClF2N3O2.8O2S/c1-6-34-23(19-8-7-18(14-26(3,4)5)13-20(19)36-25(29)30)21(28)22(33-34)24(35)32-16-27(15-31)11-9-17(2)10-12-27;1-8-31-26(22-14-13-21(29-18(4)5)15-23(22)33-7)24(17(2)3)25(30-31)27(32)28-16-20-11-9-19(6)10-12-20;1-6-32-22(18-8-7-17(14-25(3,4)5)13-19(18)35-24(28)29)20(27)21(31-32)23(33)30-15-26(34)11-9-16(2)10-12-26;1-6-32-23(19-12-11-18(14-26(3,4)5)13-20(19)34-25(28)29)21(27)22(31-32)24(33)30-15-17-9-7-16(2)8-10-17;1-7-21-24(26(31)27-16-19-11-9-18(5)10-12-19)29-30(8-2)25(21)22-14-13-20(28-17(3)4)15-23(22)32-6;1-5-31-22(17-7-6-16(10-14(2)3)12-18(17)35-24(27)28)20(26)21(30-31)23(33)29-13-25(34)9-8-15(4)11-19(25)32;1-5-31-22(18-7-6-17(12-15(2)3)13-19(18)34-24(27)28)20(26)21(30-31)23(32)29-14-25(33)10-8-16(4)9-11-25;1-5-31-23(19-11-10-18(12-15(2)3)13-20(19)33-25(27)28)21(26)22(30-31)24(32)29-14-17-8-6-16(4)7-9-17;8*1-3-2/h7-8,13,17,25H,6,9-12,14,16H2,1-5H3,(H,32,35);13-15,17-20,29H,8-12,16H2,1-7H3,(H,28,32);7-8,13,16,24,34H,6,9-12,14-15H2,1-5H3,(H,30,33);11-13,16-17,25H,6-10,14-15H2,1-5H3,(H,30,33);13-15,17-19,28H,7-12,16H2,1-6H3,(H,27,31);6-7,12,14-15,19,24,32,34H,5,8-11,13H2,1-4H3,(H,29,33);6-7,13,15-16,24,33H,5,8-12,14H2,1-4H3,(H,29,32);10-11,13,15-17,25H,5-9,12,14H2,1-4H3,(H,29,32);;;;;;;;/t;;;;;15-,19-,25-;;;;;;;;;;/m.....1........../s1
InChIKeyFGBICYFBNGDEGI-WLMPPUNJSA-N
XLogP43.09
TPSA851.09 Ų
H-Bond Donors14
H-Bond Acceptors55
Rotatable Bonds69
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004430.99
LogP ≤ 543.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1055

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCc1c(C(=O)NCC2CCC(C)CC2)nn(CC)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2(C#N)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C(C)C)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)C)cc1OC(F)F.O=S=O.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 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)?
The InChIKey is FGBICYFBNGDEGI-WLMPPUNJSA-N. The full InChI is InChI=1S/C27H35ClF2N4O2.C27H42N4O2.C26H36ClF2N3O3.C26H36ClF2N3O2.C26H40N4O2.C25H34ClF2N3O4.C25H34ClF2N3O3.C25H34ClF2N3O2.8O2S/c1-6-34-23(19-8-7-18(14-26(3,4)5)13-20(19)36-25(29)30)21(28)22(33-34)24(35)32-16-27(15-31)11-9-17(2)10-12-27;1-8-31-26(22-14-13-21(29-18(4)5)15-23(22)33-7)24(17(2)3)25(30-31)27(32)28-16-20-11-9-19(6)10-12-20;1-6-32-22(18-8-7-17(14-25(3,4)5)13-19(18)35-24(28)29)20(27)21(31-32)23(33)30-15-26(34)11-9-16(2)10-12-26;1-6-32-23(19-12-11-18(14-26(3,4)5)13-20(19)34-25(28)29)21(27)22(31-32)24(33)30-15-17-9-7-16(2)8-10-17;1-7-21-24(26(31)27-16-19-11-9-18(5)10-12-19)29-30(8-2)25(21)22-14-13-20(28-17(3)4)15-23(22)32-6;1-5-31-22(17-7-6-16(10-14(2)3)12-18(17)35-24(27)28)20(26)21(30-31)23(33)29-13-25(34)9-8-15(4)11-19(25)32;1-5-31-22(18-7-6-17(12-15(2)3)13-19(18)34-24(27)28)20(26)21(30-31)23(32)29-14-25(33)10-8-16(4)9-11-25;1-5-31-23(19-11-10-18(12-15(2)3)13-20(19)33-25(27)28)21(26)22(30-31)24(32)29-14-17-8-6-16(4)7-9-17;8*1-3-2/h7-8,13,17,25H,6,9-12,14,16H2,1-5H3,(H,32,35);13-15,17-20,29H,8-12,16H2,1-7H3,(H,28,32);7-8,13,16,24,34H,6,9-12,14-15H2,1-5H3,(H,30,33);11-13,16-17,25H,6-10,14-15H2,1-5H3,(H,30,33);13-15,17-19,28H,7-12,16H2,1-6H3,(H,27,31);6-7,12,14-15,19,24,32,34H,5,8-11,13H2,1-4H3,(H,29,33);6-7,13,15-16,24,33H,5,8-12,14H2,1-4H3,(H,29,32);10-11,13,15-17,25H,5-9,12,14H2,1-4H3,(H,29,32);;;;;;;;/t;;;;;15-,19-,25-;;;;;;;;;;/m.....1........../s1.
What are the key properties of 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)?
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) has a molecular weight of 4430.99 g/mol, XLogP of 43.09, 69 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158021040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).