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)

C201H279Cl8F4N25O39S8 — CID 158880405

IUPAC4-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)
SMILESCCCOc1ccc(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC(C)(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC2(C)CC2)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC2CC2(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC[C@@H]2CC2(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC[C@H]2CC2(C)F)cc1OC.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/3C26H35ClFN3O3.C26H36ClN3O3.C25H35ClFN3O3.C24H35ClN4O2.2C24H34ClN3O3.8O2S/c3*1-5-31-24(20-11-10-19(12-21(20)33-4)34-15-18-13-26(18,3)28)22(27)23(30-31)25(32)29-14-17-8-6-16(2)7-9-17;1-5-30-24(20-11-10-19(14-21(20)32-4)33-16-26(3)12-13-26)22(27)23(29-30)25(31)28-15-18-8-6-17(2)7-9-18;1-6-30-23(19-12-11-18(13-20(19)32-5)33-15-25(3,4)27)21(26)22(29-30)24(31)28-14-17-9-7-16(2)8-10-17;1-6-29-23(19-12-11-18(27-15(2)3)13-20(19)31-5)21(25)22(28-29)24(30)26-14-17-9-7-16(4)8-10-17;1-6-28-23(19-12-11-18(31-15(2)3)13-20(19)30-5)21(25)22(27-28)24(29)26-14-17-9-7-16(4)8-10-17;1-5-13-31-18-11-12-19(20(14-18)30-4)23-21(25)22(27-28(23)6-2)24(29)26-15-17-9-7-16(3)8-10-17;8*1-3-2/h3*10-12,16-18H,5-9,13-15H2,1-4H3,(H,29,32);10-11,14,17-18H,5-9,12-13,15-16H2,1-4H3,(H,28,31);11-13,16-17H,6-10,14-15H2,1-5H3,(H,28,31);11-13,15-17,27H,6-10,14H2,1-5H3,(H,26,30);11-13,15-17H,6-10,14H2,1-5H3,(H,26,29);11-12,14,16-17H,5-10,13,15H2,1-4H3,(H,26,29);;;;;;;;/t2*16?,17?,18-,26?;;;;;;;;;;;;;;/m10............../s1
InChIKeyJCYOZAAMZUDZRT-HGCBDABBSA-N
MW4285.73 g/mol
LogP41.03
Rot. Bonds70

About 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)

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) (PubChem CID 158880405) has the molecular formula C201H279Cl8F4N25O39S8 and a molecular weight of 4285.73 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name4-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)
PubChem CID158880405
Molecular FormulaC201H279Cl8F4N25O39S8
Molecular Weight4285.73 g/mol
Exact Mass4278.58
IUPAC Name4-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)
SMILESCCCOc1ccc(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC(C)(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC2(C)CC2)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC2CC2(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC[C@@H]2CC2(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC[C@H]2CC2(C)F)cc1OC.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/3C26H35ClFN3O3.C26H36ClN3O3.C25H35ClFN3O3.C24H35ClN4O2.2C24H34ClN3O3.8O2S/c3*1-5-31-24(20-11-10-19(12-21(20)33-4)34-15-18-13-26(18,3)28)22(27)23(30-31)25(32)29-14-17-8-6-16(2)7-9-17;1-5-30-24(20-11-10-19(14-21(20)32-4)33-16-26(3)12-13-26)22(27)23(29-30)25(31)28-15-18-8-6-17(2)7-9-18;1-6-30-23(19-12-11-18(13-20(19)32-5)33-15-25(3,4)27)21(26)22(29-30)24(31)28-14-17-9-7-16(2)8-10-17;1-6-29-23(19-12-11-18(27-15(2)3)13-20(19)31-5)21(25)22(28-29)24(30)26-14-17-9-7-16(4)8-10-17;1-6-28-23(19-12-11-18(31-15(2)3)13-20(19)30-5)21(25)22(27-28)24(29)26-14-17-9-7-16(4)8-10-17;1-5-13-31-18-11-12-19(20(14-18)30-4)23-21(25)22(27-28(23)6-2)24(29)26-15-17-9-7-16(3)8-10-17;8*1-3-2/h3*10-12,16-18H,5-9,13-15H2,1-4H3,(H,29,32);10-11,14,17-18H,5-9,12-13,15-16H2,1-4H3,(H,28,31);11-13,16-17H,6-10,14-15H2,1-5H3,(H,28,31);11-13,15-17,27H,6-10,14H2,1-5H3,(H,26,30);11-13,15-17H,6-10,14H2,1-5H3,(H,26,29);11-12,14,16-17H,5-10,13,15H2,1-4H3,(H,26,29);;;;;;;;/t2*16?,17?,18-,26?;;;;;;;;;;;;;;/m10............../s1
InChIKeyJCYOZAAMZUDZRT-HGCBDABBSA-N
XLogP41.03
TPSA798.96 Ų
H-Bond Donors9
H-Bond Acceptors56
Rotatable Bonds70
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004285.73
LogP ≤ 541.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1056

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCCOc1ccc(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)c(OC)c1.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(NC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC(C)C)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC(C)(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC2(C)CC2)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OCC2CC2(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC[C@@H]2CC2(C)F)cc1OC.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(OC[C@H]2CC2(C)F)cc1OC.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-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)?
The InChIKey is JCYOZAAMZUDZRT-HGCBDABBSA-N. The full InChI is InChI=1S/3C26H35ClFN3O3.C26H36ClN3O3.C25H35ClFN3O3.C24H35ClN4O2.2C24H34ClN3O3.8O2S/c3*1-5-31-24(20-11-10-19(12-21(20)33-4)34-15-18-13-26(18,3)28)22(27)23(30-31)25(32)29-14-17-8-6-16(2)7-9-17;1-5-30-24(20-11-10-19(14-21(20)32-4)33-16-26(3)12-13-26)22(27)23(29-30)25(31)28-15-18-8-6-17(2)7-9-18;1-6-30-23(19-12-11-18(13-20(19)32-5)33-15-25(3,4)27)21(26)22(29-30)24(31)28-14-17-9-7-16(2)8-10-17;1-6-29-23(19-12-11-18(27-15(2)3)13-20(19)31-5)21(25)22(28-29)24(30)26-14-17-9-7-16(4)8-10-17;1-6-28-23(19-12-11-18(31-15(2)3)13-20(19)30-5)21(25)22(27-28)24(29)26-14-17-9-7-16(4)8-10-17;1-5-13-31-18-11-12-19(20(14-18)30-4)23-21(25)22(27-28(23)6-2)24(29)26-15-17-9-7-16(3)8-10-17;8*1-3-2/h3*10-12,16-18H,5-9,13-15H2,1-4H3,(H,29,32);10-11,14,17-18H,5-9,12-13,15-16H2,1-4H3,(H,28,31);11-13,16-17H,6-10,14-15H2,1-5H3,(H,28,31);11-13,15-17,27H,6-10,14H2,1-5H3,(H,26,30);11-13,15-17H,6-10,14H2,1-5H3,(H,26,29);11-12,14,16-17H,5-10,13,15H2,1-4H3,(H,26,29);;;;;;;;/t2*16?,17?,18-,26?;;;;;;;;;;;;;;/m10............../s1.
What are the key properties of 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)?
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) has a molecular weight of 4285.73 g/mol, XLogP of 41.03, 70 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158880405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).