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

C84H65ClN18O7S — CID 158613874

IUPACmethyl 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
SMILESCOC(=O)n1nc(-c2cccnc2)cc1-c1ccc(Cl)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(O)cc1.NS(=O)(=O)c1ccc(-n2ccc(-c3ccncc3)n2)cc1.c1ccc(-n2nc(-c3cccnc3)cc2-c2cccnc2)cc1.c1ccc(-n2nc(-c3ccncc3)cc2-c2ccncc2)cc1
InChIInChI=1S/2C19H14N4.C16H12ClN3O2.C16H13N3O3.C14H12N4O2S/c1-2-8-17(9-3-1)23-19(16-7-5-11-21-14-16)12-18(22-23)15-6-4-10-20-13-15;1-2-4-17(5-3-1)23-19(16-8-12-21-13-9-16)14-18(22-23)15-6-10-20-11-7-15;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;15-21(19,20)13-3-1-12(2-4-13)18-10-7-14(17-18)11-5-8-16-9-6-11/h2*1-14H;2-10H,1H3;2-10,20H,1H3;1-10H,(H2,15,19,20)
InChIKeyHXDUWDNOZXMFIG-UHFFFAOYSA-N
MW1506.08 g/mol
LogP16.39
Rot. Bonds13

About 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

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 (PubChem CID 158613874) has the molecular formula C84H65ClN18O7S and a molecular weight of 1506.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID158613874
Molecular FormulaC84H65ClN18O7S
Molecular Weight1506.08 g/mol
Exact Mass1504.47
IUPAC Namemethyl 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
SMILESCOC(=O)n1nc(-c2cccnc2)cc1-c1ccc(Cl)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(O)cc1.NS(=O)(=O)c1ccc(-n2ccc(-c3ccncc3)n2)cc1.c1ccc(-n2nc(-c3cccnc3)cc2-c2cccnc2)cc1.c1ccc(-n2nc(-c3ccncc3)cc2-c2ccncc2)cc1
InChIInChI=1S/2C19H14N4.C16H12ClN3O2.C16H13N3O3.C14H12N4O2S/c1-2-8-17(9-3-1)23-19(16-7-5-11-21-14-16)12-18(22-23)15-6-4-10-20-13-15;1-2-4-17(5-3-1)23-19(16-8-12-21-13-9-16)14-18(22-23)15-6-10-20-11-7-15;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;15-21(19,20)13-3-1-12(2-4-13)18-10-7-14(17-18)11-5-8-16-9-6-11/h2*1-14H;2-10H,1H3;2-10,20H,1H3;1-10H,(H2,15,19,20)
InChIKeyHXDUWDNOZXMFIG-UHFFFAOYSA-N
XLogP16.39
TPSA312.32 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.08
LogP ≤ 516.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(Cl)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1ccc(O)cc1.NS(=O)(=O)c1ccc(-n2ccc(-c3ccncc3)n2)cc1.c1ccc(-n2nc(-c3cccnc3)cc2-c2cccnc2)cc1.c1ccc(-n2nc(-c3ccncc3)cc2-c2ccncc2)cc1.
What is the InChIKey of 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?
The InChIKey is HXDUWDNOZXMFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14N4.C16H12ClN3O2.C16H13N3O3.C14H12N4O2S/c1-2-8-17(9-3-1)23-19(16-7-5-11-21-14-16)12-18(22-23)15-6-4-10-20-13-15;1-2-4-17(5-3-1)23-19(16-8-12-21-13-9-16)14-18(22-23)15-6-10-20-11-7-15;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;15-21(19,20)13-3-1-12(2-4-13)18-10-7-14(17-18)11-5-8-16-9-6-11/h2*1-14H;2-10H,1H3;2-10,20H,1H3;1-10H,(H2,15,19,20).
What are the key properties of 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?
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 has a molecular weight of 1506.08 g/mol, XLogP of 16.39, 13 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158613874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).