1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate

C93H72BrCl6N31O7 — CID 159482370

About 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate

1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate (PubChem CID 159482370) has the molecular formula C93H72BrCl6N31O7 and a molecular weight of 2028.43 g/mol. Its IUPAC name is 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate
• PubChem CID: 159482370
• Molecular Formula: C93H72BrCl6N31O7
• Molecular Weight: 2028.43 g/mol
• Exact Mass: 2023.35
• IUPAC Name: 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate
• SMILES: CC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(Br)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccc(Cl)cc3Cl)n2)ccn1.COC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)ccn1.O=C(Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)ccn1)C1CC1
• InChI: InChI=1S/C20H16ClN7O.C20H16ClN5O.C18H13BrClN7O.C18H14ClN7O2.C17H13Cl2N5O2/c21-16-4-2-1-3-14(16)18-15(19-23-11-24-26-19)10-28(27-18)13-7-8-22-17(9-13)25-20(29)12-5-6-12;1-13(27)8-14-9-15(6-7-22-14)26-10-17(16-4-2-3-5-19(16)21)18(11-26)20-23-12-24-25-20;1-10(28)24-16-6-15(13(19)7-21-16)27-8-12(18-22-9-23-25-18)17(26-27)11-4-2-3-5-14(11)20;1-28-18(27)23-15-8-11(6-7-20-15)26-9-13(17-21-10-22-24-17)16(25-26)12-4-2-3-5-14(12)19;1-9(25)22-15-7-11(4-5-21-15)24-8-13(17(20)26)16(23-24)12-3-2-10(18)6-14(12)19/h1-4,7-12H,5-6H2,(H,22,25,29)(H,23,24,26);2-7,9-12H,8H2,1H3,(H,23,24,25);2-9H,1H3,(H,21,24,28)(H,22,23,25);2-10H,1H3,(H,20,23,27)(H,21,22,24);2-8H,1H3,(H2,20,26)(H,21,22,25)
• InChIKey: LXDSHCNRPYMXDL-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 492.73 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.43
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate?

The IUPAC name of 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate (CID 159482370) is 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate?

The canonical SMILES for 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate is CC(=O)Cc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)c2)ccn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)c(Br)cn1.CC(=O)Nc1cc(-n2cc(C(N)=O)c(-c3ccc(Cl)cc3Cl)n2)ccn1.COC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)ccn1.O=C(Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccccc3Cl)n2)ccn1)C1CC1.

What is the InChIKey of 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate?

The InChIKey is LXDSHCNRPYMXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN7O.C20H16ClN5O.C18H13BrClN7O.C18H14ClN7O2.C17H13Cl2N5O2/c21-16-4-2-1-3-14(16)18-15(19-23-11-24-26-19)10-28(27-18)13-7-8-22-17(9-13)25-20(29)12-5-6-12;1-13(27)8-14-9-15(6-7-22-14)26-10-17(16-4-2-3-5-19(16)21)18(11-26)20-23-12-24-25-20;1-10(28)24-16-6-15(13(19)7-21-16)27-8-12(18-22-9-23-25-18)17(26-27)11-4-2-3-5-14(11)20;1-28-18(27)23-15-8-11(6-7-20-15)26-9-13(17-21-10-22-24-17)16(25-26)12-4-2-3-5-14(12)19;1-9(25)22-15-7-11(4-5-21-15)24-8-13(17(20)26)16(23-24)12-3-2-10(18)6-14(12)19/h1-4,7-12H,5-6H2,(H,22,25,29)(H,23,24,26);2-7,9-12H,8H2,1H3,(H,23,24,25);2-9H,1H3,(H,21,24,28)(H,22,23,25);2-10H,1H3,(H,20,23,27)(H,21,22,24);2-8H,1H3,(H2,20,26)(H,21,22,25).

What are the key properties of 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate?

1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate has a molecular weight of 2028.43 g/mol, XLogP of 18.77, 22 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-acetamido-4-pyridinyl)-3-(2,4-dichlorophenyl)pyrazole-4-carboxamide;N-[5-bromo-4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]cyclopropanecarboxamide;1-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]propan-2-one;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 159482370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).