1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid

C12H11FN2O2 — CID 1491355

IUPAC1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)O
InChIInChI=1S/C12H11FN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17)
InChIKeyNKCDCNWWMFTZPW-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.33
Rot. Bonds2

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

1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 1491355) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID1491355
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)O
InChIInChI=1S/C12H11FN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17)
InChIKeyNKCDCNWWMFTZPW-UHFFFAOYSA-N
XLogP2.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 1491355) is 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)O.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is NKCDCNWWMFTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-11(12(16)17)8(2)15(14-7)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,16,17).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 1491355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).