5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid

C12H11FN2O2 — CID 105494099

IUPAC5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1-c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-7-10(12(16)17)14-15(2)11(7)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,16,17)
InChIKeyGWIHWBYGZSCNAQ-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.23
Rot. Bonds2

About 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid

5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid (PubChem CID 105494099) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
PubChem CID105494099
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1-c1ccccc1F
InChIInChI=1S/C12H11FN2O2/c1-7-10(12(16)17)14-15(2)11(7)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,16,17)
InChIKeyGWIHWBYGZSCNAQ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid (CID 105494099) is 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(C)c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid?
The InChIKey is GWIHWBYGZSCNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-10(12(16)17)14-15(2)11(7)8-5-3-4-6-9(8)13/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid?
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105494099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).