4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide

C93H71Cl3N18O10S2 — CID 162170214

IUPAC4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide
SMILESCOC(=O)n1nc(-c2cccnc2)cc1-c1ccc(Cl)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(O)cc1.CS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccn2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O2S.C20H15ClN4O2S.C20H15N5O.C16H12ClN3O2.C16H13N3O3/c1-28(26,27)19-8-6-18(7-9-19)25-21(16-2-4-17(22)5-3-16)14-20(24-25)15-10-12-23-13-11-15;21-16-3-1-15(2-4-16)20-13-19(14-9-11-23-12-10-14)24-25(20)17-5-7-18(8-6-17)28(22,26)27;21-20(26)15-8-6-14(7-9-15)18-12-17(16-4-3-10-22-13-16)24-25(18)19-5-1-2-11-23-19;1-22-16(21)20-15(11-4-6-13(17)7-5-11)9-14(19-20)12-3-2-8-18-10-12;1-22-16(21)19-15(11-4-6-13(20)7-5-11)9-14(18-19)12-3-2-8-17-10-12/h2-14H,1H3;1-13H,(H2,22,26,27);1-13H,(H2,21,26);2-10H,1H3;2-10,20H,1H3
InChIKeyZNRNFXJBKFRPTN-UHFFFAOYSA-N
MW1771.20 g/mol
LogP18.47
Rot. Bonds16

About 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide

4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide (PubChem CID 162170214) has the molecular formula C93H71Cl3N18O10S2 and a molecular weight of 1771.20 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide
PubChem CID162170214
Molecular FormulaC93H71Cl3N18O10S2
Molecular Weight1771.20 g/mol
Exact Mass1768.41
IUPAC Name4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide
SMILESCOC(=O)n1nc(-c2cccnc2)cc1-c1ccc(Cl)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(O)cc1.CS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccn2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O2S.C20H15ClN4O2S.C20H15N5O.C16H12ClN3O2.C16H13N3O3/c1-28(26,27)19-8-6-18(7-9-19)25-21(16-2-4-17(22)5-3-16)14-20(24-25)15-10-12-23-13-11-15;21-16-3-1-15(2-4-16)20-13-19(14-9-11-23-12-10-14)24-25(20)17-5-7-18(8-6-17)28(22,26)27;21-20(26)15-8-6-14(7-9-15)18-12-17(16-4-3-10-22-13-16)24-25(18)19-5-1-2-11-23-19;1-22-16(21)20-15(11-4-6-13(17)7-5-11)9-14(19-20)12-3-2-8-18-10-12;1-22-16(21)19-15(11-4-6-13(20)7-5-11)9-14(18-19)12-3-2-8-17-10-12/h2-14H,1H3;1-13H,(H2,22,26,27);1-13H,(H2,21,26);2-10H,1H3;2-10,20H,1H3
InChIKeyZNRNFXJBKFRPTN-UHFFFAOYSA-N
XLogP18.47
TPSA376.66 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001771.20
LogP ≤ 518.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide with MolForge

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Related Compounds

Methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;3-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)pyridine;4-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;4-(3-pyridin-4-ylpyrazol-1-yl)benzenesulfonamide
CID 158613874
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;4-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]pyridine;(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide;4-(1-pyridin-2-yl-4-pyridin-3-ylpyrrol-2-yl)benzamide;sulfane
CID 159561511

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide (CID 162170214) is 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide is COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(Cl)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(O)cc1.CS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccn2)cc1.NS(=O)(=O)c1ccc(-n2nc(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide?
The InChIKey is ZNRNFXJBKFRPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S.C20H15ClN4O2S.C20H15N5O.C16H12ClN3O2.C16H13N3O3/c1-28(26,27)19-8-6-18(7-9-19)25-21(16-2-4-17(22)5-3-16)14-20(24-25)15-10-12-23-13-11-15;21-16-3-1-15(2-4-16)20-13-19(14-9-11-23-12-10-14)24-25(20)17-5-7-18(8-6-17)28(22,26)27;21-20(26)15-8-6-14(7-9-15)18-12-17(16-4-3-10-22-13-16)24-25(18)19-5-1-2-11-23-19;1-22-16(21)20-15(11-4-6-13(17)7-5-11)9-14(19-20)12-3-2-8-18-10-12;1-22-16(21)19-15(11-4-6-13(20)7-5-11)9-14(18-19)12-3-2-8-17-10-12/h2-14H,1H3;1-13H,(H2,22,26,27);1-13H,(H2,21,26);2-10H,1H3;2-10,20H,1H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide?
4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide has a molecular weight of 1771.20 g/mol, XLogP of 18.47, 16 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 162170214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).