4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine

C43H39Cl7F4N14O10 — CID 159003056

About 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine (PubChem CID 159003056) has the molecular formula C43H39Cl7F4N14O10 and a molecular weight of 1236.04 g/mol. Its IUPAC name is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine.

Molecular Properties

• Compound Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine
• PubChem CID: 159003056
• Molecular Formula: C43H39Cl7F4N14O10
• Molecular Weight: 1236.04 g/mol
• Exact Mass: 1232.07
• IUPAC Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine
• SMILES: CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Cn1ncc(Cl)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cn1ncc(Cl)c1C(=O)O.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C16H9Cl2F2N5O3.C11H6ClF2N3O2.C5H6ClN3O2.C5H5ClN2O2.C5H11NO.CH2Cl2/c1-25-14(9(18)4-23-25)15(26)24-13-6-21-10(5-22-13)7-2-11-12(3-8(7)17)28-16(19,20)27-11;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-10-4-7-3(6)8-5(9-4)11-2;1-8-4(5(9)10)3(6)2-7-8;1-6-2-4-7-5-3-6;2-1-3/h2-6H,1H3,(H,22,24,26);1-4H,(H2,15,17);1-2H3;2H,1H3,(H,9,10);2-5H2,1H3;1H2
• InChIKey: JROPJFPCQUAPBV-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 286.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.04
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine?

The IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine (CID 159003056) is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine.

What is the SMILES notation for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine?

The canonical SMILES for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine is CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Cn1ncc(Cl)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cn1ncc(Cl)c1C(=O)O.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine?

The InChIKey is JROPJFPCQUAPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2N5O3.C11H6ClF2N3O2.C5H6ClN3O2.C5H5ClN2O2.C5H11NO.CH2Cl2/c1-25-14(9(18)4-23-25)15(26)24-13-6-21-10(5-22-13)7-2-11-12(3-8(7)17)28-16(19,20)27-11;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-10-4-7-3(6)8-5(9-4)11-2;1-8-4(5(9)10)3(6)2-7-8;1-6-2-4-7-5-3-6;2-1-3/h2-6H,1H3,(H,22,24,26);1-4H,(H2,15,17);1-2H3;2H,1H3,(H,9,10);2-5H2,1H3;1H2.

What are the key properties of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine?

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine has a molecular weight of 1236.04 g/mol, XLogP of 9.14, 7 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;2-chloro-4,6-dimethoxy-1,3,5-triazine;4-chloro-1-methylpyrazole-5-carboxylic acid;dichloromethane;4-methylmorpholine is sourced from PubChem (CID 159003056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).