1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid

C11H9FN2O2 — CID 22227945

IUPAC1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2/c1-7-6-10(11(15)16)13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChIKeyVYEZQNYDNQBJNA-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid

1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 22227945) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID22227945
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2/c1-7-6-10(11(15)16)13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChIKeyVYEZQNYDNQBJNA-UHFFFAOYSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid (CID 22227945) is 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is VYEZQNYDNQBJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-6-10(11(15)16)13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16).
What are the key properties of 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid?
1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 220.20 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 22227945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).