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

C37H27Cl7F4N8O6 — CID 158114022

About 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane (PubChem CID 158114022) has the molecular formula C37H27Cl7F4N8O6 and a molecular weight of 1003.84 g/mol. Its IUPAC name is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane
• PubChem CID: 158114022
• Molecular Formula: C37H27Cl7F4N8O6
• Molecular Weight: 1003.84 g/mol
• Exact Mass: 999.98
• IUPAC Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane
• SMILES: Cc1nn(C)c(C(=O)Cl)c1Cl.Cc1nn(C)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C18H12Cl2F2N4O3.C12H7ClF2N2O2.C6H6Cl2N2O.CH2Cl2/c1-8-15(20)16(26(2)25-8)17(27)24-14-4-3-9(7-23-14)10-5-12-13(6-11(10)19)29-18(21,22)28-12;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-3-4(7)5(6(8)11)10(2)9-3;2-1-3/h3-7H,1-2H3,(H,23,24,27);1-5H,(H2,16,17);1-2H3;1H2
• InChIKey: FQTXGUYXBLRJPL-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 170.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1003.84
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane (CID 158114022) is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane is Cc1nn(C)c(C(=O)Cl)c1Cl.Cc1nn(C)c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl.ClCCl.Nc1ccc(-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane?

The InChIKey is FQTXGUYXBLRJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F2N4O3.C12H7ClF2N2O2.C6H6Cl2N2O.CH2Cl2/c1-8-15(20)16(26(2)25-8)17(27)24-14-4-3-9(7-23-14)10-5-12-13(6-11(10)19)29-18(21,22)28-12;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-3-4(7)5(6(8)11)10(2)9-3;2-1-3/h3-7H,1-2H3,(H,23,24,27);1-5H,(H2,16,17);1-2H3;1H2.

What are the key properties of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane has a molecular weight of 1003.84 g/mol, XLogP of 11.16, 5 rotatable bonds, 2 hydrogen bond donors, and 13 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)-2-pyridinyl]-1,3-dimethylpyrazole-5-carboxamide;5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;4-chloro-1,3-dimethylpyrazole-5-carbonyl chloride;dichloromethane is sourced from PubChem (CID 158114022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).