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

C78H60Br3Cl13F2N18O12 — CID 158120628

IUPACbis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide
SMILESCC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(Cl)c1Cl
InChIInChI=1S/2C13H10BrCl2N3O2.C13H10BrClFN3O2.2C13H10Cl3N3O2.C13H10Cl2FN3O2/c2*1-6-3-4-9(8(15)5-6)17-13(21)11-10(14)12(16)19(18-11)7(2)20;1-6-3-4-9(8(16)5-6)17-13(21)11-10(14)12(15)19(18-11)7(2)20;2*1-6-3-4-9(8(14)5-6)17-13(21)11-10(15)12(16)19(18-11)7(2)20;1-6-3-4-9(8(16)5-6)17-13(21)11-10(14)12(15)19(18-11)7(2)20/h6*3-5H,1-2H3,(H,17,21)
InChIKeyFROHNIXZVYSWMX-UHFFFAOYSA-N
MW2180.05 g/mol
LogP23.68
Rot. Bonds12

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

bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 158120628) has the molecular formula C78H60Br3Cl13F2N18O12 and a molecular weight of 2180.05 g/mol. Its IUPAC name is bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Namebis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide
PubChem CID158120628
Molecular FormulaC78H60Br3Cl13F2N18O12
Molecular Weight2180.05 g/mol
Exact Mass2169.81
IUPAC Namebis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide
SMILESCC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(Cl)c1Cl
InChIInChI=1S/2C13H10BrCl2N3O2.C13H10BrClFN3O2.2C13H10Cl3N3O2.C13H10Cl2FN3O2/c2*1-6-3-4-9(8(15)5-6)17-13(21)11-10(14)12(16)19(18-11)7(2)20;1-6-3-4-9(8(16)5-6)17-13(21)11-10(14)12(15)19(18-11)7(2)20;2*1-6-3-4-9(8(14)5-6)17-13(21)11-10(15)12(16)19(18-11)7(2)20;1-6-3-4-9(8(16)5-6)17-13(21)11-10(14)12(15)19(18-11)7(2)20/h6*3-5H,1-2H3,(H,17,21)
InChIKeyFROHNIXZVYSWMX-UHFFFAOYSA-N
XLogP23.68
TPSA383.94 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002180.05
LogP ≤ 523.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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

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Related Compounds

Bis([5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]phosphonic acid);[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]phosphonic acid)
CID 157345195
Bis(4-[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid);4-[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid;bis(4-[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid);4-[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid
CID 157700529
1-[4-Bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate;1-[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 157779513
bis(1-acetyl-4,5-dibromo-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dibromo-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 157915032
bis(2-acetyl-5-bromo-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-bromo-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide;bis(2-acetyl-5-chloro-N-(2-chloro-4-methylphenyl)triazole-4-carboxamide);2-acetyl-5-chloro-N-(2-fluoro-4-methylphenyl)triazole-4-carboxamide
CID 157968251
1-[4-Bromo-3-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4-bromo-3-chloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate;1-[3,4-dichloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[3,4-dichloro-5-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 158062727
Bis(4-[5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]-4-oxobutanoic acid);4-[5-chloro-4-fluoro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid;4-[5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid;bis(4-[3-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluoropyrazol-1-yl]-4-oxobutanoic acid)
CID 158234838
Bis([4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid;bis([4,5-dichloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid);[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]phosphonic acid
CID 158862246
1-[4-Bromo-3-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4-bromo-3-chloro-5-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate;1-[3,4-dichloro-5-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[3,4-dichloro-5-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 158953445
Bis(1-[4,5-dibromo-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate);bis([4,5-dibromo-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate);1-[4,5-dibromo-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4,5-dibromo-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate;methane
CID 158995747
1-[4-Bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4-bromo-5-chloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate;1-[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate;[4,5-dichloro-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]methyl dihydrogen phosphate
CID 159112606
Bis(4-[4,5-dibromo-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid);4-[4,5-dibromo-3-[(2-fluoro-4-methylphenyl)carbamoyl]pyrazol-1-yl]-4-oxobutanoic acid
CID 159481987

Frequently Asked Questions

What is the IUPAC name of bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide (CID 158120628) is bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide is CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2Cl)c(Cl)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(Br)c1Cl.CC(=O)n1nc(C(=O)Nc2ccc(C)cc2F)c(Cl)c1Cl.
What is the InChIKey of bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is FROHNIXZVYSWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10BrCl2N3O2.C13H10BrClFN3O2.2C13H10Cl3N3O2.C13H10Cl2FN3O2/c2*1-6-3-4-9(8(15)5-6)17-13(21)11-10(14)12(16)19(18-11)7(2)20;1-6-3-4-9(8(16)5-6)17-13(21)11-10(14)12(15)19(18-11)7(2)20;2*1-6-3-4-9(8(14)5-6)17-13(21)11-10(15)12(16)19(18-11)7(2)20;1-6-3-4-9(8(16)5-6)17-13(21)11-10(14)12(15)19(18-11)7(2)20/h6*3-5H,1-2H3,(H,17,21).
What are the key properties of bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide?
bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 2180.05 g/mol, XLogP of 23.68, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-acetyl-4-bromo-5-chloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4-bromo-5-chloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide;bis(1-acetyl-4,5-dichloro-N-(2-chloro-4-methylphenyl)pyrazole-3-carboxamide);1-acetyl-4,5-dichloro-N-(2-fluoro-4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 158120628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).