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

C113H90N24O15S6 — CID 162222867

IUPAC2-[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
SMILESCOc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cn1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccnc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccco1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccoc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnn(C)c1.Cc1nn(C)c(C)c1-c1c(C)c(-c2ccccc2)nn1-c1nc(C(=O)O)cs1
InChIInChI=1S/C20H19N5O2S.C20H16N4O3S.C19H14N4O2S.C18H15N5O2S.2C18H13N3O3S/c1-11-17(14-8-6-5-7-9-14)23-25(20-21-15(10-28-20)19(26)27)18(11)16-12(2)22-24(4)13(16)3;1-12-17(13-6-4-3-5-7-13)23-24(20-22-15(11-28-20)19(25)26)18(12)14-8-9-16(27-2)21-10-14;1-12-16(13-6-3-2-4-7-13)22-23(17(12)14-8-5-9-20-10-14)19-21-15(11-26-19)18(24)25;1-11-15(12-6-4-3-5-7-12)21-23(16(11)13-8-19-22(2)9-13)18-20-14(10-26-18)17(24)25;1-11-15(12-6-3-2-4-7-12)20-21(16(11)14-8-5-9-24-14)18-19-13(10-25-18)17(22)23;1-11-15(12-5-3-2-4-6-12)20-21(16(11)13-7-8-24-9-13)18-19-14(10-25-18)17(22)23/h5-10H,1-4H3,(H,26,27);3-11H,1-2H3,(H,25,26);2-11H,1H3,(H,24,25);3-10H,1-2H3,(H,24,25);2*2-10H,1H3,(H,22,23)
InChIKeyZUJBFYRIRTXFME-UHFFFAOYSA-N
MW2216.52 g/mol
LogP24.08
Rot. Bonds25

About 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

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 (PubChem CID 162222867) has the molecular formula C113H90N24O15S6 and a molecular weight of 2216.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162222867
Molecular FormulaC113H90N24O15S6
Molecular Weight2216.52 g/mol
Exact Mass2214.53
IUPAC Name2-[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
SMILESCOc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cn1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccnc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccco1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccoc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnn(C)c1.Cc1nn(C)c(C)c1-c1c(C)c(-c2ccccc2)nn1-c1nc(C(=O)O)cs1
InChIInChI=1S/C20H19N5O2S.C20H16N4O3S.C19H14N4O2S.C18H15N5O2S.2C18H13N3O3S/c1-11-17(14-8-6-5-7-9-14)23-25(20-21-15(10-28-20)19(26)27)18(11)16-12(2)22-24(4)13(16)3;1-12-17(13-6-4-3-5-7-13)23-24(20-22-15(11-28-20)19(25)26)18(12)14-8-9-16(27-2)21-10-14;1-12-16(13-6-3-2-4-7-13)22-23(17(12)14-8-5-9-20-10-14)19-21-15(11-26-19)18(24)25;1-11-15(12-6-4-3-5-7-12)21-23(16(11)13-8-19-22(2)9-13)18-20-14(10-26-18)17(24)25;1-11-15(12-6-3-2-4-7-12)20-21(16(11)14-8-5-9-24-14)18-19-13(10-25-18)17(22)23;1-11-15(12-5-3-2-4-6-12)20-21(16(11)13-7-8-24-9-13)18-19-14(10-25-18)17(22)23/h5-10H,1-4H3,(H,26,27);3-11H,1-2H3,(H,25,26);2-11H,1H3,(H,24,25);3-10H,1-2H3,(H,24,25);2*2-10H,1H3,(H,22,23)
InChIKeyZUJBFYRIRTXFME-UHFFFAOYSA-N
XLogP24.08
TPSA504.99 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.52
LogP ≤ 524.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[[(2S)-2-aminopropanoyl]amino]methyl]-1,3-thiazol-2-yl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;tert-butyl N-[(2S)-1-[[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(2R)-1-[[2-[5-[(2-methoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate;(2-methoxyphenyl)methanamine;1-[4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 158123291
2-[5-(6-Methoxy-2-methyl-3-pyridinyl)-4-methyl-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylic acid;2-(4-methyl-3-phenyl-5-pyrimidin-5-ylpyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
CID 123526190
Sodium;2-hydroxy-1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]ethanone;4-(6-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-5-carboxylic acid
CID 157331190
2-chloro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-chloro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2,6-difluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;2-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-2-carboxamide;3-fluoro-N-[5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 157333230
2-[5-[[3-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid;4-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxylic acid;4-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-thiophen-2-ylpyrrole-3-carboxylic acid
CID 159483514
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
N-(2,6-difluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N-(2,6-difluorophenyl)-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]thiophene-2-carboxamide;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3-fluoro-5-methyl-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 162120097

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2c(C)c(-c3ccccc3)nn2-c2nc(C(=O)O)cs2)cn1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccnc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccco1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccoc1.Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cnn(C)c1.Cc1nn(C)c(C)c1-c1c(C)c(-c2ccccc2)nn1-c1nc(C(=O)O)cs1.
What is the InChIKey of 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?
The InChIKey is ZUJBFYRIRTXFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S.C20H16N4O3S.C19H14N4O2S.C18H15N5O2S.2C18H13N3O3S/c1-11-17(14-8-6-5-7-9-14)23-25(20-21-15(10-28-20)19(26)27)18(11)16-12(2)22-24(4)13(16)3;1-12-17(13-6-4-3-5-7-13)23-24(20-22-15(11-28-20)19(25)26)18(12)14-8-9-16(27-2)21-10-14;1-12-16(13-6-3-2-4-7-13)22-23(17(12)14-8-5-9-20-10-14)19-21-15(11-26-19)18(24)25;1-11-15(12-6-4-3-5-7-12)21-23(16(11)13-8-19-22(2)9-13)18-20-14(10-26-18)17(24)25;1-11-15(12-6-3-2-4-7-12)20-21(16(11)14-8-5-9-24-14)18-19-13(10-25-18)17(22)23;1-11-15(12-5-3-2-4-6-12)20-21(16(11)13-7-8-24-9-13)18-19-14(10-25-18)17(22)23/h5-10H,1-4H3,(H,26,27);3-11H,1-2H3,(H,25,26);2-11H,1H3,(H,24,25);3-10H,1-2H3,(H,24,25);2*2-10H,1H3,(H,22,23).
What are the key properties of 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?
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 has a molecular weight of 2216.52 g/mol, XLogP of 24.08, 25 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162222867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).