5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid

C21H13Cl2N3O2 — CID 10250987

IUPAC5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-8-9-16(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/h1-12H,(H,27,28)
InChIKeyWEHXTYFZRAPTMR-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.61
Rot. Bonds4

About 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid

5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 10250987) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID10250987
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-8-9-16(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/h1-12H,(H,27,28)
InChIKeyWEHXTYFZRAPTMR-UHFFFAOYSA-N
XLogP5.61
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-4-ylmethyl-1H-pyrazole-3-carboxylic acid
CID 44311523
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-3-ylmethyl-1H-pyrazole-3-carboxylic acid
CID 44311665
5-(2'',4''-Dichloro-biphenyl-4-yl)-2-pyridin-4-ylmethyl-2H-pyrazole-3-carboxylic acid
CID 44311687
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-3-yl-1H-pyrazole-3-carboxylic acid
CID 44311709
6-(3-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600116
6-(4-Chlorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600117
6-(6-Chloro-3-pyridinyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600939
1-Benzyl-5-(2'',4''-dichloro-biphenyl-4-yl)-1H-pyrazole-3-carboxylic acid
CID 44311425
5-(2'',4''-Dichloro-biphenyl-4-yl)-2-pyridin-3-ylmethyl-2H-pyrazole-3-carboxylic acid
CID 44311541
5-(2'',4''-Dichloro-biphenyl-4-yl)-2-pyridin-2-ylmethyl-2H-pyrazole-3-carboxylic acid
CID 44311542
5-(2'',4''-Dichloro-biphenyl-4-yl)-1-pyridin-2-ylmethyl-1H-pyrazole-3-carboxylic acid
CID 44311666
5-[4-(2,4-Dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxamide
CID 44311708

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid (CID 10250987) is 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1.
What is the InChIKey of 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is WEHXTYFZRAPTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-15-8-9-16(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/h1-12H,(H,27,28).
What are the key properties of 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid?
5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 410.26 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dichlorophenyl)phenyl]-1-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 10250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).