N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate

C100H83Cl6F4N31O7 — CID 161095109

IUPACN-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(C(F)(F)F)cc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(F)cc3Cl)n2)c(C)cn1.COC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2ccc(Cl)cc2Cl)n1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(CO)c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H17Cl2N7O.C20H15ClF3N7O.C20H17ClN6O2.C20H19ClN4O2.C19H15ClFN7O/c1-11-8-24-18(27-21(31)12-2-3-12)7-17(11)30-9-15(20-25-10-26-28-20)19(29-30)14-5-4-13(22)6-16(14)23;1-10-7-25-17(28-11(2)32)6-16(10)31-8-14(19-26-9-27-29-19)18(30-31)13-4-3-12(5-15(13)21)20(22,23)24;1-12-10-24-17(25-20(28)29-2)9-16(12)27-11-14(19-22-7-8-23-19)18(26-27)13-5-3-4-6-15(13)21;1-12-9-22-18(23-20(27)13-6-7-13)8-17(12)25-10-14(11-26)19(24-25)15-4-2-3-5-16(15)21;1-10-7-22-17(25-11(2)29)6-16(10)28-8-14(19-23-9-24-26-19)18(27-28)13-4-3-12(21)5-15(13)20/h4-10,12H,2-3H2,1H3,(H,24,27,31)(H,25,26,28);3-9H,1-2H3,(H,25,28,32)(H,26,27,29);3-11H,1-2H3,(H,22,23)(H,24,25,28);2-5,8-10,13,26H,6-7,11H2,1H3,(H,22,23,27);3-9H,1-2H3,(H,22,25,29)(H,23,24,26)
InChIKeyUHROSUOIXSMYBW-UHFFFAOYSA-N
MW2119.68 g/mol
LogP21.32
Rot. Bonds22

About N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate

N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate (PubChem CID 161095109) has the molecular formula C100H83Cl6F4N31O7 and a molecular weight of 2119.68 g/mol. Its IUPAC name is N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
PubChem CID161095109
Molecular FormulaC100H83Cl6F4N31O7
Molecular Weight2119.68 g/mol
Exact Mass2115.52
IUPAC NameN-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(C(F)(F)F)cc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(F)cc3Cl)n2)c(C)cn1.COC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2ccc(Cl)cc2Cl)n1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(CO)c(-c2ccccc2Cl)n1
InChIInChI=1S/C21H17Cl2N7O.C20H15ClF3N7O.C20H17ClN6O2.C20H19ClN4O2.C19H15ClFN7O/c1-11-8-24-18(27-21(31)12-2-3-12)7-17(11)30-9-15(20-25-10-26-28-20)19(29-30)14-5-4-13(22)6-16(14)23;1-10-7-25-17(28-11(2)32)6-16(10)31-8-14(19-26-9-27-29-19)18(30-31)13-4-3-12(5-15(13)21)20(22,23)24;1-12-10-24-17(25-20(28)29-2)9-16(12)27-11-14(19-22-7-8-23-19)18(26-27)13-5-3-4-6-15(13)21;1-12-9-22-18(23-20(27)13-6-7-13)8-17(12)25-10-14(11-26)19(24-25)15-4-2-3-5-16(15)21;1-10-7-22-17(25-11(2)29)6-16(10)28-8-14(19-23-9-24-26-19)18(27-28)13-4-3-12(21)5-15(13)20/h4-10,12H,2-3H2,1H3,(H,24,27,31)(H,25,26,28);3-9H,1-2H3,(H,25,28,32)(H,26,27,29);3-11H,1-2H3,(H,22,23)(H,24,25,28);2-5,8-10,13,26H,6-7,11H2,1H3,(H,22,23,27);3-9H,1-2H3,(H,22,25,29)(H,23,24,26)
InChIKeyUHROSUOIXSMYBW-UHFFFAOYSA-N
XLogP21.32
TPSA481.90 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002119.68
LogP ≤ 521.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate?
The IUPAC name of N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate (CID 161095109) is N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate.
What is the SMILES notation for N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate?
The canonical SMILES for N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate is CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(C(F)(F)F)cc3Cl)n2)c(C)cn1.CC(=O)Nc1cc(-n2cc(-c3ncn[nH]3)c(-c3ccc(F)cc3Cl)n2)c(C)cn1.COC(=O)Nc1cc(-n2cc(-c3ncc[nH]3)c(-c3ccccc3Cl)n2)c(C)cn1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2ncn[nH]2)c(-c2ccc(Cl)cc2Cl)n1.Cc1cnc(NC(=O)C2CC2)cc1-n1cc(CO)c(-c2ccccc2Cl)n1.
What is the InChIKey of N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate?
The InChIKey is UHROSUOIXSMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N7O.C20H15ClF3N7O.C20H17ClN6O2.C20H19ClN4O2.C19H15ClFN7O/c1-11-8-24-18(27-21(31)12-2-3-12)7-17(11)30-9-15(20-25-10-26-28-20)19(29-30)14-5-4-13(22)6-16(14)23;1-10-7-25-17(28-11(2)32)6-16(10)31-8-14(19-26-9-27-29-19)18(30-31)13-4-3-12(5-15(13)21)20(22,23)24;1-12-10-24-17(25-20(28)29-2)9-16(12)27-11-14(19-22-7-8-23-19)18(26-27)13-5-3-4-6-15(13)21;1-12-9-22-18(23-20(27)13-6-7-13)8-17(12)25-10-14(11-26)19(24-25)15-4-2-3-5-16(15)21;1-10-7-22-17(25-11(2)29)6-16(10)28-8-14(19-23-9-24-26-19)18(27-28)13-4-3-12(21)5-15(13)20/h4-10,12H,2-3H2,1H3,(H,24,27,31)(H,25,26,28);3-9H,1-2H3,(H,25,28,32)(H,26,27,29);3-11H,1-2H3,(H,22,23)(H,24,25,28);2-5,8-10,13,26H,6-7,11H2,1H3,(H,22,23,27);3-9H,1-2H3,(H,22,25,29)(H,23,24,26).
What are the key properties of N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate?
N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate has a molecular weight of 2119.68 g/mol, XLogP of 21.32, 22 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-chloro-4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2-chlorophenyl)-4-(hydroxymethyl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[3-[2-chloro-4-(trifluoromethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide;N-[4-[3-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;methyl N-[4-[3-(2-chlorophenyl)-4-(1H-imidazol-2-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate is sourced from PubChem (CID 161095109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).