bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)

C78H63Cl8F7N18O12 — CID 160777833

IUPACbis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)
SMILESCC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)cc1F.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)cc1F.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)cc1Cl
InChIInChI=1S/2C13H10Cl2FN3O2.C13H10ClF2N3O2.3C13H11ClFN3O2/c2*1-6-3-4-9(8(14)5-6)17-13(21)11-10(16)12(15)19(18-11)7(2)20;1-6-3-4-9(8(15)5-6)17-13(21)11-10(16)12(14)19(18-11)7(2)20;1-7-3-4-10(9(15)5-7)16-13(20)11-6-12(14)18(17-11)8(2)19;2*1-7-3-4-10(9(14)5-7)16-13(20)11-6-12(15)18(17-11)8(2)19/h3*3-5H,1-2H3,(H,17,21);3*3-6H,1-2H3,(H,16,20)
InChIKeySAEKWBQLELKSKM-UHFFFAOYSA-N
MW1861.09 g/mol
LogP18.82
Rot. Bonds12

About bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)

bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide) (PubChem CID 160777833) has the molecular formula C78H63Cl8F7N18O12 and a molecular weight of 1861.09 g/mol. Its IUPAC name is bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide).

Molecular Properties

Compound Namebis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)
PubChem CID160777833
Molecular FormulaC78H63Cl8F7N18O12
Molecular Weight1861.09 g/mol
Exact Mass1856.23
IUPAC Namebis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)
SMILESCC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)cc1F.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)cc1F.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)cc1Cl
InChIInChI=1S/2C13H10Cl2FN3O2.C13H10ClF2N3O2.3C13H11ClFN3O2/c2*1-6-3-4-9(8(14)5-6)17-13(21)11-10(16)12(15)19(18-11)7(2)20;1-6-3-4-9(8(15)5-6)17-13(21)11-10(16)12(14)19(18-11)7(2)20;1-7-3-4-10(9(15)5-7)16-13(20)11-6-12(14)18(17-11)8(2)19;2*1-7-3-4-10(9(14)5-7)16-13(20)11-6-12(15)18(17-11)8(2)19/h3*3-5H,1-2H3,(H,17,21);3*3-6H,1-2H3,(H,16,20)
InChIKeySAEKWBQLELKSKM-UHFFFAOYSA-N
XLogP18.82
TPSA383.94 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001861.09
LogP ≤ 518.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)?
The IUPAC name of bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide) (CID 160777833) is bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide).
What is the SMILES notation for bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)?
The canonical SMILES for bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide) is CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)cc1F.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)cc1F.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(F)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)cc1Cl.
What is the InChIKey of bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)?
The InChIKey is SAEKWBQLELKSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10Cl2FN3O2.C13H10ClF2N3O2.3C13H11ClFN3O2/c2*1-6-3-4-9(8(14)5-6)17-13(21)11-10(16)12(15)19(18-11)7(2)20;1-6-3-4-9(8(15)5-6)17-13(21)11-10(16)12(14)19(18-11)7(2)20;1-7-3-4-10(9(15)5-7)16-13(20)11-6-12(14)18(17-11)8(2)19;2*1-7-3-4-10(9(14)5-7)16-13(20)11-6-12(15)18(17-11)8(2)19/h3*3-5H,1-2H3,(H,17,21);3*3-6H,1-2H3,(H,16,20).
What are the key properties of bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide)?
bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide) has a molecular weight of 1861.09 g/mol, XLogP of 18.82, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)-4-fluoropyrazole-3-carboxamide);1-acetyl-5-chloro-4-fluoro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;1-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-N-(2-chloro-4-methylphenyl)-5-fluoropyrazole-3-carboxamide) is sourced from PubChem (CID 160777833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).