4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane

C35H25Cl7F4N10O6 — CID 160992844

About 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane (PubChem CID 160992844) has the molecular formula C35H25Cl7F4N10O6 and a molecular weight of 1005.81 g/mol. Its IUPAC name is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane.

Molecular Properties

• Compound Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane
• PubChem CID: 160992844
• Molecular Formula: C35H25Cl7F4N10O6
• Molecular Weight: 1005.81 g/mol
• Exact Mass: 1001.97
• IUPAC Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane
• SMILES: Cc1nn(C)c(C(=O)Cl)c1Cl.Cc1nn(C)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C17H11Cl2F2N5O3.C11H6ClF2N3O2.C6H6Cl2N2O.CH2Cl2/c1-7-14(19)15(26(2)25-7)16(27)24-13-6-22-10(5-23-13)8-3-11-12(4-9(8)18)29-17(20,21)28-11;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-3-4(7)5(6(8)11)10(2)9-3;2-1-3/h3-6H,1-2H3,(H,23,24,27);1-4H,(H2,15,17);1-2H3;1H2
• InChIKey: TUWDSEUWYYXDNT-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 196.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1005.81
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane?

The IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane (CID 160992844) is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane.

What is the SMILES notation for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane?

The canonical SMILES for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane is Cc1nn(C)c(C(=O)Cl)c1Cl.Cc1nn(C)c(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl.ClCCl.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]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane?

The InChIKey is TUWDSEUWYYXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N5O3.C11H6ClF2N3O2.C6H6Cl2N2O.CH2Cl2/c1-7-14(19)15(26(2)25-7)16(27)24-13-6-22-10(5-23-13)8-3-11-12(4-9(8)18)29-17(20,21)28-11;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-3-4(7)5(6(8)11)10(2)9-3;2-1-3/h3-6H,1-2H3,(H,23,24,27);1-4H,(H2,15,17);1-2H3;1H2.

What are the key properties of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane?

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane has a molecular weight of 1005.81 g/mol, XLogP of 9.95, 5 rotatable bonds, 2 hydrogen bond donors, and 15 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]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane is sourced from PubChem (CID 160992844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).