butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid

C43H63Cl2N9O11S2 — CID 161474044

About butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid

butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid (PubChem CID 161474044) has the molecular formula C43H63Cl2N9O11S2 and a molecular weight of 1017.07 g/mol. Its IUPAC name is butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid
• PubChem CID: 161474044
• Molecular Formula: C43H63Cl2N9O11S2
• Molecular Weight: 1017.07 g/mol
• Exact Mass: 1015.35
• IUPAC Name: butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid
• SMILES: CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)CCO)n(C)n1.CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)O)n(C)n1.CCCCO
• InChI: InChI=1S/C21H30ClN5O5S.C18H23ClN4O5S.C4H10O/c1-12(2)15-9-14(22)10-16(13(3)4)19(15)23-21(30)25-33(31,32)18-11-17(27(6)24-18)20(29)26(5)7-8-28;1-9(2)12-6-11(19)7-13(10(3)4)16(12)20-18(26)22-29(27,28)15-8-14(17(24)25)23(5)21-15;1-2-3-4-5/h9-13,28H,7-8H2,1-6H3,(H2,23,25,30);6-10H,1-5H3,(H,24,25)(H2,20,22,26);5H,2-4H2,1H3
• InChIKey: WDMAMZCLQKNWKG-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 284.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1017.07
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid?

The IUPAC name of butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid (CID 161474044) is butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid.

What is the SMILES notation for butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid?

The canonical SMILES for butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid is CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)CCO)n(C)n1.CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(=O)O)n(C)n1.CCCCO.

What is the InChIKey of butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid?

The InChIKey is WDMAMZCLQKNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN5O5S.C18H23ClN4O5S.C4H10O/c1-12(2)15-9-14(22)10-16(13(3)4)19(15)23-21(30)25-33(31,32)18-11-17(27(6)24-18)20(29)26(5)7-8-28;1-9(2)12-6-11(19)7-13(10(3)4)16(12)20-18(26)22-29(27,28)15-8-14(17(24)25)23(5)21-15;1-2-3-4-5/h9-13,28H,7-8H2,1-6H3,(H2,23,25,30);6-10H,1-5H3,(H,24,25)(H2,20,22,26);5H,2-4H2,1H3.

What are the key properties of butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid?

butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 1017.07 g/mol, XLogP of 7.20, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for butan-1-ol;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-N-(2-hydroxyethyl)-N,1-dimethylpyrazole-5-carboxamide;3-[[4-chloro-2,6-di(propan-2-yl)phenyl]carbamoylsulfamoyl]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 161474044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).