4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid

C76H48Br2Cl6N16O10S2 — CID 158586365

IUPAC4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid
SMILESCc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1
InChIInChI=1S/C19H12BrClN4O3.C19H12BrClN4O2S.C19H12Cl2N4O3.C19H12Cl2N4O2S/c2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(20)15(19(26)27)23-25(16)13-8-3-2-7-12(13)21;2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(21)15(19(26)27)23-25(16)13-8-3-2-7-12(13)20/h4*2-9H,1H3,(H,26,27)
InChIKeyHTWJYAIZZYXHCC-UHFFFAOYSA-N
MW1781.98 g/mol
LogP20.77
Rot. Bonds16

About 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid

4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid (PubChem CID 158586365) has the molecular formula C76H48Br2Cl6N16O10S2 and a molecular weight of 1781.98 g/mol. Its IUPAC name is 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid
PubChem CID158586365
Molecular FormulaC76H48Br2Cl6N16O10S2
Molecular Weight1781.98 g/mol
Exact Mass1775.97
IUPAC Name4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid
SMILESCc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1
InChIInChI=1S/C19H12BrClN4O3.C19H12BrClN4O2S.C19H12Cl2N4O3.C19H12Cl2N4O2S/c2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(20)15(19(26)27)23-25(16)13-8-3-2-7-12(13)21;2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(21)15(19(26)27)23-25(16)13-8-3-2-7-12(13)20/h4*2-9H,1H3,(H,26,27)
InChIKeyHTWJYAIZZYXHCC-UHFFFAOYSA-N
XLogP20.77
TPSA349.88 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001781.98
LogP ≤ 520.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid
CID 117863296
2-[4-Chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate
CID 157138474
1-[4-Bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-3-yl]-2-hydroxyethanone;1-[4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-3-yl]-2-methoxyethanone;1-[4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-3-yl]-2-methoxyethanone
CID 157613746
4-Bromo-1-(2-methylphenyl)-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazole-3-carboxylic acid;ethyl 4-bromo-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-(2-propan-2-ylphenyl)pyrazole-3-carboxylate;methyl 4-chloro-1-(2-methylphenyl)-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazole-3-carboxylate;methylsulfanylmethyl 4-chloro-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]-1-(2-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 157625067
Ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate
CID 157771744
2-(Diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate
CID 157853219
Ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate
CID 157864617
4-Chloro-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]-1-(2-propan-2-ylphenyl)pyrazole-3-carboxylic acid;ethyl 4-bromo-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(2-propan-2-ylphenyl)pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-methylphenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-methylphenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methylsulfanylmethyl 4-bromo-1-(2-methylphenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate
CID 157892274
Ethyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylate
CID 158032587
2-[4-Chloro-3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetic acid;2-(diethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazol-1-yl]acetate;2-(diethylamino)ethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methylsulfanylmethyl 2-[4-chloro-3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate
CID 158479281
2-(Diethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;2-(dimethylamino)ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;ethyl 2-[4-bromo-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;ethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate;methyl 2-[4-chloro-3-methyl-5-[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]pyrazol-1-yl]acetate;2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetic acid;methylsulfanylmethyl 2-[3-methyl-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]acetate
CID 158502583
Ethyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;ethyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-bromo-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate;methyl 4-chloro-1-(2-chlorophenyl)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrazole-3-carboxylate
CID 158542839

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid (CID 158586365) is 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid is Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Br)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)no2)c1.Cc1cccc(-c2nc(-c3c(Cl)c(C(=O)O)nn3-c3ccccc3Cl)ns2)c1.
What is the InChIKey of 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid?
The InChIKey is HTWJYAIZZYXHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClN4O3.C19H12BrClN4O2S.C19H12Cl2N4O3.C19H12Cl2N4O2S/c2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(20)15(19(26)27)23-25(16)13-8-3-2-7-12(13)21;2*1-10-5-4-6-11(9-10)18-22-17(24-28-18)16-14(21)15(19(26)27)23-25(16)13-8-3-2-7-12(13)20/h4*2-9H,1H3,(H,26,27).
What are the key properties of 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid?
4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid has a molecular weight of 1781.98 g/mol, XLogP of 20.77, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-bromo-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pyrazole-3-carboxylic acid;4-chloro-1-(2-chlorophenyl)-5-[5-(3-methylphenyl)-1,2,4-thiadiazol-3-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 158586365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).