3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid

C106H83F5N14O12 — CID 158883075

IUPAC3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid
SMILESCCc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1cc(F)cc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1C(F)(F)F.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1F.O=C(O)c1cccc(-c2ccn(-c3ccc(-n4cccn4)cc3)n2)c1
InChIInChI=1S/C19H14N4O2.C18H13F3N2O2.C18H16N2O2.2C17H13FN2O2.C17H14N2O2/c24-19(25)15-4-1-3-14(13-15)18-9-12-23(21-18)17-7-5-16(6-8-17)22-11-2-10-20-22;1-11-5-6-14(10-15(11)18(19,20)21)23-8-7-16(22-23)12-3-2-4-13(9-12)17(24)25;1-2-13-6-8-16(9-7-13)20-11-10-17(19-20)14-4-3-5-15(12-14)18(21)22;1-11-7-14(18)10-15(8-11)20-6-5-16(19-20)12-3-2-4-13(9-12)17(21)22;1-11-5-6-14(10-15(11)18)20-8-7-16(19-20)12-3-2-4-13(9-12)17(21)22;1-12-5-7-15(8-6-12)19-10-9-16(18-19)13-3-2-4-14(11-13)17(20)21/h1-13H,(H,24,25);2-10H,1H3,(H,24,25);3-12H,2H2,1H3,(H,21,22);2*2-10H,1H3,(H,21,22);2-11H,1H3,(H,20,21)
InChIKeyJDGQJUPAYLVPDN-UHFFFAOYSA-N
MW1839.91 g/mol
LogP22.70
Rot. Bonds20

About 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid

3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid (PubChem CID 158883075) has the molecular formula C106H83F5N14O12 and a molecular weight of 1839.91 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid
PubChem CID158883075
Molecular FormulaC106H83F5N14O12
Molecular Weight1839.91 g/mol
Exact Mass1838.62
IUPAC Name3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid
SMILESCCc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1cc(F)cc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1C(F)(F)F.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1F.O=C(O)c1cccc(-c2ccn(-c3ccc(-n4cccn4)cc3)n2)c1
InChIInChI=1S/C19H14N4O2.C18H13F3N2O2.C18H16N2O2.2C17H13FN2O2.C17H14N2O2/c24-19(25)15-4-1-3-14(13-15)18-9-12-23(21-18)17-7-5-16(6-8-17)22-11-2-10-20-22;1-11-5-6-14(10-15(11)18(19,20)21)23-8-7-16(22-23)12-3-2-4-13(9-12)17(24)25;1-2-13-6-8-16(9-7-13)20-11-10-17(19-20)14-4-3-5-15(12-14)18(21)22;1-11-7-14(18)10-15(8-11)20-6-5-16(19-20)12-3-2-4-13(9-12)17(21)22;1-11-5-6-14(10-15(11)18)20-8-7-16(19-20)12-3-2-4-13(9-12)17(21)22;1-12-5-7-15(8-6-12)19-10-9-16(18-19)13-3-2-4-14(11-13)17(20)21/h1-13H,(H,24,25);2-10H,1H3,(H,24,25);3-12H,2H2,1H3,(H,21,22);2*2-10H,1H3,(H,21,22);2-11H,1H3,(H,20,21)
InChIKeyJDGQJUPAYLVPDN-UHFFFAOYSA-N
XLogP22.70
TPSA348.54 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001839.91
LogP ≤ 522.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-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
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;1-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-6-carboxylic acid;1-(1-phenylethyl)indazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 157552402
Bis(3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid);3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 157568205
4-[4-[3-(1,1-Difluoroethoxy)phenyl]pyrazol-1-yl]benzoic acid;3-[4-(3-methylphenyl)pyrazol-1-yl]benzoic acid;4-[4-(3-methylphenyl)pyrazol-1-yl]benzoic acid;3-[4-(3-phenoxyphenyl)pyrazol-1-yl]benzoic acid;4-[4-(3-phenoxyphenyl)pyrazol-1-yl]benzoic acid
CID 157693493
3-[1-[4-(1,1-Difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid
CID 157974781
3-[4-[3-(1,1-Difluoroethoxy)phenyl]pyrazol-1-yl]benzoic acid;4-[4-[3-(1,1-difluoroethoxy)phenyl]pyrazol-1-yl]benzoic acid;3-[4-(3-methoxyphenyl)pyrazol-1-yl]benzoic acid;3-[4-(3-methylphenyl)pyrazol-1-yl]benzoic acid;bis(4-[4-(3-methylphenyl)pyrazol-1-yl]benzoic acid)
CID 158481758
1-[2-(4-Fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[2-(4-fluorophenyl)ethyl]indazole-5-carboxylic acid;2-[(4-fluorophenyl)methyl]indazole-5-carboxylic acid;2-[(4-methylphenyl)methyl]indazole-5-carboxylic acid;1-(1-phenylethyl)-3a,7a-dihydroindazole-5-carboxylic acid;2-(1-phenylethyl)indazole-5-carboxylic acid;1-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;1-[[4-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid;2-[[3-(trifluoromethyl)phenyl]methyl]indazole-5-carboxylic acid
CID 159198961
3-[1-(2-Fluoro-3-methylphenyl)pyrazol-3-yl]benzoic acid;bis(3-[1-(2-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid);3-[1-[4-(furan-2-yl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1,2-trifluoropropoxy)phenyl]pyrazol-3-yl]benzoic acid
CID 159385717
3-[1-[4-(1,1-Difluoroethoxy)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-[4-(1,1-difluoroethyl)phenyl]pyrazol-3-yl]benzonitrile;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzonitrile;methyl 3-[3-(3-cyanophenyl)pyrazol-1-yl]benzoate;3-(1-phenylpyrazol-3-yl)benzoic acid
CID 159501447
1-bromo-3-(trifluoromethyl)benzene;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;trans-(1R,2R)-1,2-diethylcyclohexane;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone
CID 159635139
1-bromo-3-(trifluoromethyl)benzene;cis-(1S,2R)-1,2-diethylcyclohexane;1-(1H-indazol-5-yl)ethanone;1-(3-methylphenyl)indazole-5-carboxylic acid;1-[1-(3-methylphenyl)indazol-5-yl]ethanone;2-[3-(trifluoromethyl)phenyl]indazole-5-carboxylic acid;1-[2-[3-(trifluoromethyl)phenyl]indazol-5-yl]ethanone
CID 159635140
1-(3,4-Difluorophenyl)indazole-5-carboxylic acid;1-(3,4-difluorophenyl)-3-methylindole-5-carboxylic acid;1-(3-fluorophenyl)indazole-5-carboxylic acid;1-(4-fluorophenyl)indazole-5-carboxylic acid;1-[4-(trifluoromethyl)phenyl]indazole-5-carboxylic acid
CID 159791665

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid?
The IUPAC name of 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid (CID 158883075) is 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid?
The canonical SMILES for 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid is CCc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1cc(F)cc(-n2ccc(-c3cccc(C(=O)O)c3)n2)c1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1C(F)(F)F.Cc1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1F.O=C(O)c1cccc(-c2ccn(-c3ccc(-n4cccn4)cc3)n2)c1.
What is the InChIKey of 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid?
The InChIKey is JDGQJUPAYLVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2.C18H13F3N2O2.C18H16N2O2.2C17H13FN2O2.C17H14N2O2/c24-19(25)15-4-1-3-14(13-15)18-9-12-23(21-18)17-7-5-16(6-8-17)22-11-2-10-20-22;1-11-5-6-14(10-15(11)18(19,20)21)23-8-7-16(22-23)12-3-2-4-13(9-12)17(24)25;1-2-13-6-8-16(9-7-13)20-11-10-17(19-20)14-4-3-5-15(12-14)18(21)22;1-11-7-14(18)10-15(8-11)20-6-5-16(19-20)12-3-2-4-13(9-12)17(21)22;1-11-5-6-14(10-15(11)18)20-8-7-16(19-20)12-3-2-4-13(9-12)17(21)22;1-12-5-7-15(8-6-12)19-10-9-16(18-19)13-3-2-4-14(11-13)17(20)21/h1-13H,(H,24,25);2-10H,1H3,(H,24,25);3-12H,2H2,1H3,(H,21,22);2*2-10H,1H3,(H,21,22);2-11H,1H3,(H,20,21).
What are the key properties of 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid?
3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid has a molecular weight of 1839.91 g/mol, XLogP of 22.70, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(3-fluoro-5-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid;3-[1-[4-methyl-3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid;3-[1-(4-pyrazol-1-ylphenyl)pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 158883075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).