bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)

C162H104Cl16N24O18 — CID 162033624

IUPACbis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)
SMILESNC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.NC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1
InChIInChI=1S/2C21H14Cl2N4O.4C21H13Cl2N3O2.2C18H12Cl2N2O4/c2*22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(24)28)26-27(19)20-3-1-2-10-25-20;2*22-15-7-8-17(18(23)10-15)13-3-5-14(6-4-13)20-11-19(21(27)28)25-26(20)16-2-1-9-24-12-16;2*22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(27)28)25-26(19)20-3-1-2-10-24-20;2*19-12-5-6-13(14(20)7-12)10-1-3-11(4-2-10)16-8-15(18(25)26)21-22(16)9-17(23)24/h2*1-12H,(H2,24,28);4*1-12H,(H,27,28);2*1-8H,9H2,(H,23,24)(H,25,26)
InChIKeyYWIZQGYWZVRKLW-UHFFFAOYSA-N
MW3242.01 g/mol
LogP41.05
Rot. Bonds34

About bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)

bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid) (PubChem CID 162033624) has the molecular formula C162H104Cl16N24O18 and a molecular weight of 3242.01 g/mol. Its IUPAC name is bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid).

Molecular Properties

Compound Namebis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)
PubChem CID162033624
Molecular FormulaC162H104Cl16N24O18
Molecular Weight3242.01 g/mol
Exact Mass3232.30
IUPAC Namebis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)
SMILESNC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.NC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1
InChIInChI=1S/2C21H14Cl2N4O.4C21H13Cl2N3O2.2C18H12Cl2N2O4/c2*22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(24)28)26-27(19)20-3-1-2-10-25-20;2*22-15-7-8-17(18(23)10-15)13-3-5-14(6-4-13)20-11-19(21(27)28)25-26(20)16-2-1-9-24-12-16;2*22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(27)28)25-26(19)20-3-1-2-10-24-20;2*19-12-5-6-13(14(20)7-12)10-1-3-11(4-2-10)16-8-15(18(25)26)21-22(16)9-17(23)24/h2*1-12H,(H2,24,28);4*1-12H,(H,27,28);2*1-8H,9H2,(H,23,24)(H,25,26)
InChIKeyYWIZQGYWZVRKLW-UHFFFAOYSA-N
XLogP41.05
TPSA604.48 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003242.01
LogP ≤ 541.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid) with MolForge

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Related Compounds

4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-b]pyridazin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 159148353
4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-b]pyridazin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]phenyl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 161736046
1-[(2,6-dichlorophenyl)methyl]-N-(methylideneamino)indazole-3-carboxamide;1-[(2,6-dichlorophenyl)methyl]-3-methylindazole;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 90963431
1-[(2,6-dichlorophenyl)methyl]-N-(methylideneamino)indazole-3-carboxamide;(E)-3-[1-[(2,6-dichlorophenyl)methyl]-4-methylpyrazolo[3,4-d]pyrimidin-3-yl]prop-2-enoic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 91052279
lithium;(2S)-3-(4-azidophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2,6-dichlorobenzoic acid;(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;methyl (2S)-2-amino-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[4-[(pyridin-2-ylamino)methyl]triazol-1-yl]phenyl]propanoic acid;N-prop-2-ynylpyridin-2-amine;hydroxide
CID 159601989
1-[1-Benzyl-3-[4-(2-chloro-4-methylphenyl)phenyl]pyrazol-5-yl]ethanone;bis(1-[1-benzyl-3-[4-(2,4-dimethylphenyl)phenyl]pyrazol-5-yl]ethanone);3-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-2-ylmethyl)pyrazole-5-carboxylic acid;3-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrazole-5-carboxylic acid;3-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazole-5-carboxylic acid
CID 160035654
Bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazole-3-carboxylic acid)
CID 160154541
(2S)-1-[5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carbonyl]pyrrolidine-2-carboxamide;5-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyridine-2-carboxylic acid;hydrochloride
CID 160254709
3-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid;4-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-1-ethylpyrrole-2-carboxylic acid;3-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-5-methylbenzoic acid;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid;molecular hydrogen
CID 160453578
(2R)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;(2S)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-(4-chlorophenyl)-2-hydroxy-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propanamide;2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]-2-oxoacetamide
CID 161012349

Frequently Asked Questions

What is the IUPAC name of bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)?
The IUPAC name of bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid) (CID 162033624) is bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid).
What is the SMILES notation for bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)?
The canonical SMILES for bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid) is NC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.NC(=O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1.O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2cccnc2)n1.
What is the InChIKey of bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)?
The InChIKey is YWIZQGYWZVRKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H14Cl2N4O.4C21H13Cl2N3O2.2C18H12Cl2N2O4/c2*22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(24)28)26-27(19)20-3-1-2-10-25-20;2*22-15-7-8-17(18(23)10-15)13-3-5-14(6-4-13)20-11-19(21(27)28)25-26(20)16-2-1-9-24-12-16;2*22-15-8-9-16(17(23)11-15)13-4-6-14(7-5-13)19-12-18(21(27)28)25-26(19)20-3-1-2-10-24-20;2*19-12-5-6-13(14(20)7-12)10-1-3-11(4-2-10)16-8-15(18(25)26)21-22(16)9-17(23)24/h2*1-12H,(H2,24,28);4*1-12H,(H,27,28);2*1-8H,9H2,(H,23,24)(H,25,26).
What are the key properties of bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid)?
bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid) has a molecular weight of 3242.01 g/mol, XLogP of 41.05, 34 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(carboxymethyl)-5-[4-(2,4-dichlorophenyl)phenyl]pyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid);bis(5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-3-ylpyrazole-3-carboxylic acid) is sourced from PubChem (CID 162033624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).