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

C90H78Cl2N10O10 — CID 157327510

IUPAC4-[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
SMILESCC(C)(C)c1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)cc1.Cc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)c(C)c1.Cc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)cc1Cl.Cc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)c(C)c1.Cc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)cc1Cl
InChIInChI=1S/C20H20N2O2.2C18H16N2O2.2C17H13ClN2O2/c1-20(2,3)17-8-10-18(11-9-17)22-13-16(12-21-22)14-4-6-15(7-5-14)19(23)24;1-12-3-8-17(13(2)9-12)20-11-16(10-19-20)14-4-6-15(7-5-14)18(21)22;1-12-6-7-17(13(2)8-12)20-11-16(10-19-20)14-4-3-5-15(9-14)18(21)22;1-11-2-7-15(8-16(11)18)20-10-14(9-19-20)12-3-5-13(6-4-12)17(21)22;1-11-5-6-15(8-16(11)18)20-10-14(9-19-20)12-3-2-4-13(7-12)17(21)22/h4-13H,1-3H3,(H,23,24);2*3-11H,1-2H3,(H,21,22);2*2-10H,1H3,(H,21,22)
InChIKeyBEXCRAYSPRPPQN-UHFFFAOYSA-N
MW1530.58 g/mol
LogP20.64
Rot. Bonds15

About 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

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 (PubChem CID 157327510) has the molecular formula C90H78Cl2N10O10 and a molecular weight of 1530.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157327510
Molecular FormulaC90H78Cl2N10O10
Molecular Weight1530.58 g/mol
Exact Mass1528.53
IUPAC Name4-[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
SMILESCC(C)(C)c1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)cc1.Cc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)c(C)c1.Cc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)cc1Cl.Cc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)c(C)c1.Cc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)cc1Cl
InChIInChI=1S/C20H20N2O2.2C18H16N2O2.2C17H13ClN2O2/c1-20(2,3)17-8-10-18(11-9-17)22-13-16(12-21-22)14-4-6-15(7-5-14)19(23)24;1-12-3-8-17(13(2)9-12)20-11-16(10-19-20)14-4-6-15(7-5-14)18(21)22;1-12-6-7-17(13(2)8-12)20-11-16(10-19-20)14-4-3-5-15(9-14)18(21)22;1-11-2-7-15(8-16(11)18)20-10-14(9-19-20)12-3-5-13(6-4-12)17(21)22;1-11-5-6-15(8-16(11)18)20-10-14(9-19-20)12-3-2-4-13(7-12)17(21)22/h4-13H,1-3H3,(H,23,24);2*3-11H,1-2H3,(H,21,22);2*2-10H,1H3,(H,21,22)
InChIKeyBEXCRAYSPRPPQN-UHFFFAOYSA-N
XLogP20.64
TPSA275.60 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.58
LogP ≤ 520.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 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 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
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
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
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
1-[3-[3-[1-Benzyl-3-(4-methylphenyl)pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[3-[1,3-bis(4-methylphenyl)pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]benzoic acid;1-[3-[3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;bis(1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone)
CID 158243596
3-[1-(2-Fluoro-4-methylphenyl)pyrazol-4-yl]benzoic acid;4-[1-(2-fluoro-4-methylphenyl)pyrazol-4-yl]benzoic acid;bis(3-[1-(4-methylphenyl)pyrazol-4-yl]benzoic acid);bis(4-[1-(4-methylphenyl)pyrazol-4-yl]benzoic acid)
CID 159817337
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
6'-Chloro-1'-[1-[4-[6'-chloro-2'-oxo-1'-(1-propylpyrazol-4-yl)spiro[1,3-dihydroindene-2,3'-indole]-5-yl]butyl]pyrazol-4-yl]-2'-oxospiro[1,3-dihydroindene-2,3'-indole]-5-carboxylic acid
CID 172292864
4-[1-(4-carboxyphenyl)-4-[(E)-[(2-chloro-4-methylphenyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid;4-[1-(4-carboxyphenyl)-4-[(E)-[(4-fluoro-3-methylphenyl)hydrazinylidene]methyl]pyrazol-3-yl]benzoic acid;4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]-3-(3-methylphenyl)pyrazol-1-yl]benzoic acid;4-[3-(3-methylphenyl)-4-[(E)-[(4-methylphenyl)hydrazinylidene]methyl]pyrazol-1-yl]benzoic acid
CID 172966035

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)cc1.Cc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)c(C)c1.Cc1ccc(-n2cc(-c3ccc(C(=O)O)cc3)cn2)cc1Cl.Cc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)c(C)c1.Cc1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)cc1Cl.
What is the InChIKey of 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?
The InChIKey is BEXCRAYSPRPPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.2C18H16N2O2.2C17H13ClN2O2/c1-20(2,3)17-8-10-18(11-9-17)22-13-16(12-21-22)14-4-6-15(7-5-14)19(23)24;1-12-3-8-17(13(2)9-12)20-11-16(10-19-20)14-4-6-15(7-5-14)18(21)22;1-12-6-7-17(13(2)8-12)20-11-16(10-19-20)14-4-3-5-15(9-14)18(21)22;1-11-2-7-15(8-16(11)18)20-10-14(9-19-20)12-3-5-13(6-4-12)17(21)22;1-11-5-6-15(8-16(11)18)20-10-14(9-19-20)12-3-2-4-13(7-12)17(21)22/h4-13H,1-3H3,(H,23,24);2*3-11H,1-2H3,(H,21,22);2*2-10H,1H3,(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 1530.58 g/mol, XLogP of 20.64, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157327510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).