3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid

C19H16Cl2N2O3 — CID 164621267

IUPAC3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H16Cl2N2O3/c1-26-17-5-3-16(4-6-17)23-18(11-15(22-23)2-7-19(24)25)12-8-13(20)10-14(21)9-12/h3-6,8-11H,2,7H2,1H3,(H,24,25)
InChIKeyGYESPZCLTZVXQF-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.87
Rot. Bonds6

About 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid

3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid (PubChem CID 164621267) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
PubChem CID164621267
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
SMILESCOc1ccc(-n2nc(CCC(=O)O)cc2-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H16Cl2N2O3/c1-26-17-5-3-16(4-6-17)23-18(11-15(22-23)2-7-19(24)25)12-8-13(20)10-14(21)9-12/h3-6,8-11H,2,7H2,1H3,(H,24,25)
InChIKeyGYESPZCLTZVXQF-UHFFFAOYSA-N
XLogP4.87
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tepoxalin
CID 59757
1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
Jnj-17156516
CID 11488979
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 10320262
2-(3-Chlorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10343558
2-(4-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10366068
2-(4-Chlorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10433726
2-(4-Chlorophenyl)-3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 11754311
3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
CID 14497430
2-(3-Chlorophenyl)-3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 22171012
3-[1-(4-Methoxy-phenyl)-5-p-tolyl-1h-pyrazol-3-yl]-2-m-tolyl-propionic acid
CID 22171037
3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 22171039

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid (CID 164621267) is 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid is COc1ccc(-n2nc(CCC(=O)O)cc2-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid?
The InChIKey is GYESPZCLTZVXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-26-17-5-3-16(4-6-17)23-18(11-15(22-23)2-7-19(24)25)12-8-13(20)10-14(21)9-12/h3-6,8-11H,2,7H2,1H3,(H,24,25).
What are the key properties of 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid?
3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid has a molecular weight of 391.25 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 164621267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).