4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid

C13H13FN2O3 — CID 82486252

IUPAC4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)nn(C)c2C)cc1F
InChIInChI=1S/C13H13FN2O3/c1-7-11(12(13(17)18)15-16(7)2)8-4-5-10(19-3)9(14)6-8/h4-6H,1-3H3,(H,17,18)
InChIKeyJLIKPHUHBMTGOD-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.24
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid

4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid (PubChem CID 82486252) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
PubChem CID82486252
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)nn(C)c2C)cc1F
InChIInChI=1S/C13H13FN2O3/c1-7-11(12(13(17)18)15-16(7)2)8-4-5-10(19-3)9(14)6-8/h4-6H,1-3H3,(H,17,18)
InChIKeyJLIKPHUHBMTGOD-UHFFFAOYSA-N
XLogP2.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
5-amino-4-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 82091667
4-bromo-3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858402
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 98019091
1-(3-fluoro-4-methoxyphenyl)-5-(4-methylphenyl)triazole-4-carboxylic acid
CID 56768881
1-tert-butyl-3-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 43324410
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224
1-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 53193037
[3-(3-fluoro-4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-5-yl]carbamic acid
CID 123878971
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid (CID 82486252) is 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid is COc1ccc(-c2c(C(=O)O)nn(C)c2C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid?
The InChIKey is JLIKPHUHBMTGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-7-11(12(13(17)18)15-16(7)2)8-4-5-10(19-3)9(14)6-8/h4-6H,1-3H3,(H,17,18).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid?
4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82486252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).