butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene

C72H109Cl3N14O8S — CID 90686749

About butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene

butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene (PubChem CID 90686749) has the molecular formula C72H109Cl3N14O8S and a molecular weight of 1437.18 g/mol. Its IUPAC name is butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene.

Molecular Properties

• Compound Name: butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene
• PubChem CID: 90686749
• Molecular Formula: C72H109Cl3N14O8S
• Molecular Weight: 1437.18 g/mol
• Exact Mass: 1434.73
• IUPAC Name: butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene
• SMILES: C=C.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(OCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCC(CCCCCCCC)CS(=O)OCc1nnc2c(Cl)c(C)[nH]n12.CCCCOC(=O)C(CC)CC(C)(C)C(=O)NCc1[nH]n2nc(CCCC)nc2c1Cl
• InChI: InChI=1S/C24H26ClN5O3.C24H43ClN4O2S.C22H36ClN5O3.C2H4/c1-5-19(33-20-11-6-14(2)12-15(20)3)24(31)26-17-7-9-18(10-8-17)32-13-21-27-28-23-22(25)16(4)29-30(21)23;1-4-6-8-10-12-14-16-21(17-15-13-11-9-7-5-2)19-32(30)31-18-22-26-27-24-23(25)20(3)28-29(22)24;1-6-9-11-17-25-19-18(23)16(26-28(19)27-17)14-24-21(30)22(4,5)13-15(8-3)20(29)31-12-10-7-2;1-2/h6-12,19,29H,5,13H2,1-4H3,(H,26,31);21,28H,4-19H2,1-3H3;15,26H,6-14H2,1-5H3,(H,24,30);1-2H2
• InChIKey: MQBIAQMMIYJJFI-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 267.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 40
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1437.18
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene?

The IUPAC name of butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene (CID 90686749) is butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene.

What is the SMILES notation for butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene?

The canonical SMILES for butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene is C=C.CCC(Oc1ccc(C)cc1C)C(=O)Nc1ccc(OCc2nnc3c(Cl)c(C)[nH]n23)cc1.CCCCCCCCC(CCCCCCCC)CS(=O)OCc1nnc2c(Cl)c(C)[nH]n12.CCCCOC(=O)C(CC)CC(C)(C)C(=O)NCc1[nH]n2nc(CCCC)nc2c1Cl.

What is the InChIKey of butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene?

The InChIKey is MQBIAQMMIYJJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3.C24H43ClN4O2S.C22H36ClN5O3.C2H4/c1-5-19(33-20-11-6-14(2)12-15(20)3)24(31)26-17-7-9-18(10-8-17)32-13-21-27-28-23-22(25)16(4)29-30(21)23;1-4-6-8-10-12-14-16-21(17-15-13-11-9-7-5-2)19-32(30)31-18-22-26-27-24-23(25)20(3)28-29(22)24;1-6-9-11-17-25-19-18(23)16(26-28(19)27-17)14-24-21(30)22(4,5)13-15(8-3)20(29)31-12-10-7-2;1-2/h6-12,19,29H,5,13H2,1-4H3,(H,26,31);21,28H,4-19H2,1-3H3;15,26H,6-14H2,1-5H3,(H,24,30);1-2H2.

What are the key properties of butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene?

butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene has a molecular weight of 1437.18 g/mol, XLogP of 17.59, 40 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 5-[(2-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-6-yl)methylamino]-2-ethyl-4,4-dimethyl-5-oxopentanoate;N-[4-[(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methoxy]phenyl]-2-(2,4-dimethylphenoxy)butanamide;(7-chloro-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)methyl 2-octyldecane-1-sulfinate;ethene is sourced from PubChem (CID 90686749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).