1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C16H8Cl2F3N3O2 — CID 68872265

IUPAC1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(-c3ccc(Cl)cc3Cl)n2)c1C(F)(F)F
InChIInChI=1S/C16H8Cl2F3N3O2/c17-8-4-5-9(11(18)6-8)12-2-1-3-13(23-12)24-14(16(19,20)21)10(7-22-24)15(25)26/h1-7H,(H,25,26)
InChIKeyCIHAKGILULEFDR-UHFFFAOYSA-N
MW402.16 g/mol
LogP4.96
Rot. Bonds3

About 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 68872265) has the molecular formula C16H8Cl2F3N3O2 and a molecular weight of 402.16 g/mol. Its IUPAC name is 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID68872265
Molecular FormulaC16H8Cl2F3N3O2
Molecular Weight402.16 g/mol
Exact Mass400.99
IUPAC Name1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(-c3ccc(Cl)cc3Cl)n2)c1C(F)(F)F
InChIInChI=1S/C16H8Cl2F3N3O2/c17-8-4-5-9(11(18)6-8)12-2-1-3-13(23-12)24-14(16(19,20)21)10(7-22-24)15(25)26/h1-7H,(H,25,26)
InChIKeyCIHAKGILULEFDR-UHFFFAOYSA-N
XLogP4.96
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.16
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 141242026
1-[6-[5-chloro-2-[[4-(4-cyanophenoxy)phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68870036
1-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 5135474
1-[6-[2-[[6-(4-chlorophenoxy)-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68869650
1-[6-(5-formyl-2-methoxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 87662996
1-[6-[5-chloro-2-[[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3-pyridinyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25231700
1-[6-[3-chloro-2-[[4-[1-(cyclopropanecarbonyl)azetidin-3-yl]phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 59452067
1-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285397
1-[6-[5-fluoro-2-[[4-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68922720
1-[6-[3-chloro-2-[[4-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 59451989
1-[6-[3-chloro-2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 59452058

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 68872265) is 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(-c3ccc(Cl)cc3Cl)n2)c1C(F)(F)F.
What is the InChIKey of 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is CIHAKGILULEFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3N3O2/c17-8-4-5-9(11(18)6-8)12-2-1-3-13(23-12)24-14(16(19,20)21)10(7-22-24)15(25)26/h1-7H,(H,25,26).
What are the key properties of 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 402.16 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 68872265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).