4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid

C87H64ClFN12O8 — CID 160794378

IUPAC4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
SMILESCc1cc(-c2nn(-c3ccccc3)cc2-c2cccc(C(=O)O)c2C)ccn1.Cc1ccc(C(=O)O)cc1-c1cn(-c2ccccc2)nc1-c1ccncc1.O=C(O)c1ccc(Cl)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1ccc(F)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C23H19N3O2.C22H17N3O2.C21H14ClN3O2.C21H14FN3O2/c1-15-13-17(11-12-24-15)22-21(14-26(25-22)18-7-4-3-5-8-18)19-9-6-10-20(16(19)2)23(27)28;1-15-7-8-17(22(26)27)13-19(15)20-14-25(18-5-3-2-4-6-18)24-21(20)16-9-11-23-12-10-16;2*22-19-7-6-15(21(26)27)12-17(19)18-13-25(16-4-2-1-3-5-16)24-20(18)14-8-10-23-11-9-14/h3-14H,1-2H3,(H,27,28);2-14H,1H3,(H,26,27);2*1-13H,(H,26,27)
InChIKeySCFZLQROLKRCPM-UHFFFAOYSA-N
MW1460.00 g/mol
LogP18.92
Rot. Bonds16

About 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid

4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid (PubChem CID 160794378) has the molecular formula C87H64ClFN12O8 and a molecular weight of 1460.00 g/mol. Its IUPAC name is 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
PubChem CID160794378
Molecular FormulaC87H64ClFN12O8
Molecular Weight1460.00 g/mol
Exact Mass1458.46
IUPAC Name4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
SMILESCc1cc(-c2nn(-c3ccccc3)cc2-c2cccc(C(=O)O)c2C)ccn1.Cc1ccc(C(=O)O)cc1-c1cn(-c2ccccc2)nc1-c1ccncc1.O=C(O)c1ccc(Cl)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1ccc(F)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C23H19N3O2.C22H17N3O2.C21H14ClN3O2.C21H14FN3O2/c1-15-13-17(11-12-24-15)22-21(14-26(25-22)18-7-4-3-5-8-18)19-9-6-10-20(16(19)2)23(27)28;1-15-7-8-17(22(26)27)13-19(15)20-14-25(18-5-3-2-4-6-18)24-21(20)16-9-11-23-12-10-16;2*22-19-7-6-15(21(26)27)12-17(19)18-13-25(16-4-2-1-3-5-16)24-20(18)14-8-10-23-11-9-14/h3-14H,1-2H3,(H,27,28);2-14H,1H3,(H,26,27);2*1-13H,(H,26,27)
InChIKeySCFZLQROLKRCPM-UHFFFAOYSA-N
XLogP18.92
TPSA272.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.00
LogP ≤ 518.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid with MolForge

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Related Compounds

3-[1-(3-Chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid;bis(4-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid);3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]benzoic acid;4-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]benzoic acid;4-[1-(4-methylphenyl)pyrazol-4-yl]benzoic acid
CID 157226152
Methyl 6-[[6-chloro-2-(2-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 158945078
6-[[6-Chloro-2-(2-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid;6-[[6-chloro-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159920794
4-[8-[[1-Tert-butyl-3-(4-chloro-2,5-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-tert-butyl-3-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);8-[[5-chloro-2-(6-fluoro-3-pyridinyl)-4-methylphenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-chloro-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 161386449
3-[1-(4-Tert-butylphenyl)pyrazol-4-yl]benzoic acid;4-[1-(4-tert-butylphenyl)pyrazol-4-yl]benzoic acid;3-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid;4-[1-[3-(1,1-difluoroethyl)phenyl]pyrazol-4-yl]benzoic acid;3-[1-(2,4-dimethylphenyl)pyrazol-4-yl]benzoic acid;4-[1-(2,4-dimethylphenyl)pyrazol-4-yl]benzoic acid
CID 161666194
Tetrakis(1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid);bis(4-pyridin-4-ylpyridine)
CID 139203443
4-[1-(4-Tert-butylphenyl)pyrazol-4-yl]benzoic acid;3-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid;4-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid;3-[1-(2,4-dimethylphenyl)pyrazol-4-yl]benzoic acid;4-[1-(2,4-dimethylphenyl)pyrazol-4-yl]benzoic acid
CID 157327510
2-Chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
CID 157450781
3-Chloro-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;3-fluoro-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;3-methyl-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
CID 157532784
Bis(3-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid);bis(4-[1-(3-chloro-4-methylphenyl)pyrazol-4-yl]benzoic acid);4-[1-(4-methylphenyl)pyrazol-4-yl]benzoic acid;4-[1-(4-propan-2-ylphenyl)pyrazol-4-yl]benzoic acid
CID 157546855
2-Chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;3-chloro-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;3-fluoro-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;3-methyl-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid
CID 157971127
2-Bromo-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-fluoro-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;tetrakis(2-methyl-5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid)
CID 158046466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?
The IUPAC name of 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid (CID 160794378) is 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid is Cc1cc(-c2nn(-c3ccccc3)cc2-c2cccc(C(=O)O)c2C)ccn1.Cc1ccc(C(=O)O)cc1-c1cn(-c2ccccc2)nc1-c1ccncc1.O=C(O)c1ccc(Cl)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.O=C(O)c1ccc(F)c(-c2cn(-c3ccccc3)nc2-c2ccncc2)c1.
What is the InChIKey of 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?
The InChIKey is SCFZLQROLKRCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2.C22H17N3O2.C21H14ClN3O2.C21H14FN3O2/c1-15-13-17(11-12-24-15)22-21(14-26(25-22)18-7-4-3-5-8-18)19-9-6-10-20(16(19)2)23(27)28;1-15-7-8-17(22(26)27)13-19(15)20-14-25(18-5-3-2-4-6-18)24-21(20)16-9-11-23-12-10-16;2*22-19-7-6-15(21(26)27)12-17(19)18-13-25(16-4-2-1-3-5-16)24-20(18)14-8-10-23-11-9-14/h3-14H,1-2H3,(H,27,28);2-14H,1H3,(H,26,27);2*1-13H,(H,26,27).
What are the key properties of 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid?
4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid has a molecular weight of 1460.00 g/mol, XLogP of 18.92, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;4-fluoro-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid;2-methyl-3-[3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-4-yl]benzoic acid;4-methyl-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 160794378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).