5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

C130H103N17O13S4 — CID 159724605

IUPAC5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O.COc1ccc2c(c1)-c1nn(-c3nc(C(=O)O)cs3)c(-c3ccccc3)c1CC2.Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)nc2)c1-c1ccccc1.Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1.Cc1c(-c2ccccc2)nn(-c2cccc(OC=O)n2)c1-c1ccccc1.Cc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C22H17N3O3S.C22H19N3O2S.2C22H17N3O2.C21H17N3O2S.C21H16N2O2S/c1-28-15-9-7-13-8-10-16-19(17(13)11-15)24-25(20(16)14-5-3-2-4-6-14)22-23-18(12-29-22)21(26)27;1-3-17-19(21(26)27)23-22(28-17)25-20(16-12-8-5-9-13-16)14(2)18(24-25)15-10-6-4-7-11-15;1-16-21(17-9-4-2-5-10-17)24-25(22(16)18-11-6-3-7-12-18)19-13-8-14-20(23-19)27-15-26;1-15-20(16-8-4-2-5-9-16)24-25(21(15)17-10-6-3-7-11-17)18-12-13-19(22(26)27)23-14-18;1-13-17(15-9-5-3-6-10-15)23-24(19(13)16-11-7-4-8-12-16)21-22-18(20(25)26)14(2)27-21;1-14-19(15-8-4-2-5-9-15)22-23(18-13-12-17(26-18)21(24)25)20(14)16-10-6-3-7-11-16/h2-7,9,11-12H,8,10H2,1H3,(H,26,27);4-13H,3H2,1-2H3,(H,26,27);2-15H,1H3;2-14H,1H3,(H,26,27);3-12H,1-2H3,(H,25,26);2-13H,1H3,(H,24,25)
InChIKeyNALZDJNHIFMMFO-UHFFFAOYSA-N
MW2239.63 g/mol
LogP29.01
Rot. Bonds26

About 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 159724605) has the molecular formula C130H103N17O13S4 and a molecular weight of 2239.63 g/mol. Its IUPAC name is 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID159724605
Molecular FormulaC130H103N17O13S4
Molecular Weight2239.63 g/mol
Exact Mass2237.68
IUPAC Name5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O.COc1ccc2c(c1)-c1nn(-c3nc(C(=O)O)cs3)c(-c3ccccc3)c1CC2.Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)nc2)c1-c1ccccc1.Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1.Cc1c(-c2ccccc2)nn(-c2cccc(OC=O)n2)c1-c1ccccc1.Cc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C22H17N3O3S.C22H19N3O2S.2C22H17N3O2.C21H17N3O2S.C21H16N2O2S/c1-28-15-9-7-13-8-10-16-19(17(13)11-15)24-25(20(16)14-5-3-2-4-6-14)22-23-18(12-29-22)21(26)27;1-3-17-19(21(26)27)23-22(28-17)25-20(16-12-8-5-9-13-16)14(2)18(24-25)15-10-6-4-7-11-15;1-16-21(17-9-4-2-5-10-17)24-25(22(16)18-11-6-3-7-12-18)19-13-8-14-20(23-19)27-15-26;1-15-20(16-8-4-2-5-9-16)24-25(21(15)17-10-6-3-7-11-17)18-12-13-19(22(26)27)23-14-18;1-13-17(15-9-5-3-6-10-15)23-24(19(13)16-11-7-4-8-12-16)21-22-18(20(25)26)14(2)27-21;1-14-19(15-8-4-2-5-9-15)22-23(18-13-12-17(26-18)21(24)25)20(14)16-10-6-3-7-11-16/h2-7,9,11-12H,8,10H2,1H3,(H,26,27);4-13H,3H2,1-2H3,(H,26,27);2-15H,1H3;2-14H,1H3,(H,26,27);3-12H,1-2H3,(H,25,26);2-13H,1H3,(H,24,25)
InChIKeyNALZDJNHIFMMFO-UHFFFAOYSA-N
XLogP29.01
TPSA393.40 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.63
LogP ≤ 529.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)naphthalen-2-yl]-3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]pyridine-2-carboxylic acid;3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]-6-[8-([1,3]thiazolo[4,5-b]pyridin-2-ylcarbamoyl)naphthalen-2-yl]pyridine-2-carboxylic acid;3-[1-[[3,5-dimethyl-7-[(2-methylpropan-2-yl)oxy]-1-adamantyl]methyl]-5-methylpyrazol-4-yl]-6-[8-([1,3]thiazolo[5,4-b]pyridin-2-ylcarbamoyl)naphthalen-2-yl]pyridine-2-carboxylic acid
CID 158639468
2-[5-(Furan-2-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(furan-3-yl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[5-(6-methoxy-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-[4-methyl-5-(1-methylpyrazol-4-yl)-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyridin-3-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-[4-methyl-3-phenyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
CID 162222867

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid (CID 159724605) is 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is CCc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O.COc1ccc2c(c1)-c1nn(-c3nc(C(=O)O)cs3)c(-c3ccccc3)c1CC2.Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)nc2)c1-c1ccccc1.Cc1c(-c2ccccc2)nn(-c2ccc(C(=O)O)s2)c1-c1ccccc1.Cc1c(-c2ccccc2)nn(-c2cccc(OC=O)n2)c1-c1ccccc1.Cc1sc(-n2nc(-c3ccccc3)c(C)c2-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NALZDJNHIFMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S.C22H19N3O2S.2C22H17N3O2.C21H17N3O2S.C21H16N2O2S/c1-28-15-9-7-13-8-10-16-19(17(13)11-15)24-25(20(16)14-5-3-2-4-6-14)22-23-18(12-29-22)21(26)27;1-3-17-19(21(26)27)23-22(28-17)25-20(16-12-8-5-9-13-16)14(2)18(24-25)15-10-6-4-7-11-15;1-16-21(17-9-4-2-5-10-17)24-25(22(16)18-11-6-3-7-12-18)19-13-8-14-20(23-19)27-15-26;1-15-20(16-8-4-2-5-9-16)24-25(21(15)17-10-6-3-7-11-17)18-12-13-19(22(26)27)23-14-18;1-13-17(15-9-5-3-6-10-15)23-24(19(13)16-11-7-4-8-12-16)21-22-18(20(25)26)14(2)27-21;1-14-19(15-8-4-2-5-9-15)22-23(18-13-12-17(26-18)21(24)25)20(14)16-10-6-3-7-11-16/h2-7,9,11-12H,8,10H2,1H3,(H,26,27);4-13H,3H2,1-2H3,(H,26,27);2-15H,1H3;2-14H,1H3,(H,26,27);3-12H,1-2H3,(H,25,26);2-13H,1H3,(H,24,25).
What are the key properties of 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid?
5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 2239.63 g/mol, XLogP of 29.01, 26 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid;2-(8-methoxy-3-phenyl-4,5-dihydrobenzo[g]indazol-2-yl)-1,3-thiazole-4-carboxylic acid;5-(4-methyl-3,5-diphenylpyrazol-1-yl)pyridine-2-carboxylic acid;[6-(4-methyl-3,5-diphenylpyrazol-1-yl)-2-pyridinyl] formate;5-(4-methyl-3,5-diphenylpyrazol-1-yl)thiophene-2-carboxylic acid;5-methyl-2-(4-methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 159724605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).