1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea

C98H122N20O20S5 — CID 157151696

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea
SMILESCC(C)(O)Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC1(Cn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)n2)COC1.C[C@H](CO)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.C[C@H](O)Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2COC2)n1
InChIInChI=1S/C21H26N4O4S.C20H26N4O4S.C19H22N4O4S.2C19H24N4O4S/c1-21(12-29-13-21)11-25-9-8-18(23-25)30(27,28)24-20(26)22-19-16-6-2-4-14(16)10-15-5-3-7-17(15)19;1-20(2,26)12-24-10-9-17(22-24)29(27,28)23-19(25)21-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;24-19(22-28(25,26)17-7-8-23(21-17)14-10-27-11-14)20-18-15-5-1-3-12(15)9-13-4-2-6-16(13)18;1-12(11-24)23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18;1-12(24)11-23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-10H,2-7,11-13H2,1H3,(H2,22,24,26);9-11,26H,3-8,12H2,1-2H3,(H2,21,23,25);7-9,14H,1-6,10-11H2,(H2,20,22,24);2*8-10,12,24H,2-7,11H2,1H3,(H2,20,22,25)/t;;;2*12-/m...10/s1
InChIKeyALICLBJPGFNNIM-PDGJCGNESA-N
MW2060.51 g/mol
LogP10.17
Rot. Bonds24

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea (PubChem CID 157151696) has the molecular formula C98H122N20O20S5 and a molecular weight of 2060.51 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea
PubChem CID157151696
Molecular FormulaC98H122N20O20S5
Molecular Weight2060.51 g/mol
Exact Mass2058.77
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea
SMILESCC(C)(O)Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC1(Cn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)n2)COC1.C[C@H](CO)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.C[C@H](O)Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2COC2)n1
InChIInChI=1S/C21H26N4O4S.C20H26N4O4S.C19H22N4O4S.2C19H24N4O4S/c1-21(12-29-13-21)11-25-9-8-18(23-25)30(27,28)24-20(26)22-19-16-6-2-4-14(16)10-15-5-3-7-17(15)19;1-20(2,26)12-24-10-9-17(22-24)29(27,28)23-19(25)21-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;24-19(22-28(25,26)17-7-8-23(21-17)14-10-27-11-14)20-18-15-5-1-3-12(15)9-13-4-2-6-16(13)18;1-12(11-24)23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18;1-12(24)11-23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-10H,2-7,11-13H2,1H3,(H2,22,24,26);9-11,26H,3-8,12H2,1-2H3,(H2,21,23,25);7-9,14H,1-6,10-11H2,(H2,20,22,24);2*8-10,12,24H,2-7,11H2,1H3,(H2,20,22,25)/t;;;2*12-/m...10/s1
InChIKeyALICLBJPGFNNIM-PDGJCGNESA-N
XLogP10.17
TPSA544.60 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002060.51
LogP ≤ 510.17
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea (CID 157151696) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea is CC(C)(O)Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC1(Cn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)n2)COC1.C[C@H](CO)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.C[C@H](O)Cn1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2COC2)n1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea?
The InChIKey is ALICLBJPGFNNIM-PDGJCGNESA-N. The full InChI is InChI=1S/C21H26N4O4S.C20H26N4O4S.C19H22N4O4S.2C19H24N4O4S/c1-21(12-29-13-21)11-25-9-8-18(23-25)30(27,28)24-20(26)22-19-16-6-2-4-14(16)10-15-5-3-7-17(15)19;1-20(2,26)12-24-10-9-17(22-24)29(27,28)23-19(25)21-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18;24-19(22-28(25,26)17-7-8-23(21-17)14-10-27-11-14)20-18-15-5-1-3-12(15)9-13-4-2-6-16(13)18;1-12(11-24)23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18;1-12(24)11-23-9-8-17(21-23)28(26,27)22-19(25)20-18-15-6-2-4-13(15)10-14-5-3-7-16(14)18/h8-10H,2-7,11-13H2,1H3,(H2,22,24,26);9-11,26H,3-8,12H2,1-2H3,(H2,21,23,25);7-9,14H,1-6,10-11H2,(H2,20,22,24);2*8-10,12,24H,2-7,11H2,1H3,(H2,20,22,25)/t;;;2*12-/m...10/s1.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea has a molecular weight of 2060.51 g/mol, XLogP of 10.17, 24 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-1-hydroxypropan-2-yl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(3-methyloxetan-3-yl)methyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxetan-3-yl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 157151696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).