4-fluoro-5-methylpyrazole-1-carboxylic acid

C5H5FN2O2 — CID 146345939

IUPAC4-fluoro-5-methylpyrazole-1-carboxylic acid
SMILESCc1c(F)cnn1C(=O)O
InChIInChI=1S/C5H5FN2O2/c1-3-4(6)2-7-8(3)5(9)10/h2H,1H3,(H,9,10)
InChIKeyQMUUIUMOHJWICX-UHFFFAOYSA-N
MW144.11 g/mol
LogP0.86
Rot. Bonds

About 4-fluoro-5-methylpyrazole-1-carboxylic acid

4-fluoro-5-methylpyrazole-1-carboxylic acid (PubChem CID 146345939) has the molecular formula C5H5FN2O2 and a molecular weight of 144.11 g/mol. Its IUPAC name is 4-fluoro-5-methylpyrazole-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-5-methylpyrazole-1-carboxylic acid
PubChem CID146345939
Molecular FormulaC5H5FN2O2
Molecular Weight144.11 g/mol
Exact Mass144.03
IUPAC Name4-fluoro-5-methylpyrazole-1-carboxylic acid
SMILESCc1c(F)cnn1C(=O)O
InChIInChI=1S/C5H5FN2O2/c1-3-4(6)2-7-8(3)5(9)10/h2H,1H3,(H,9,10)
InChIKeyQMUUIUMOHJWICX-UHFFFAOYSA-N
XLogP0.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methylpyrazole-1-carboxylic acid?
The IUPAC name of 4-fluoro-5-methylpyrazole-1-carboxylic acid (CID 146345939) is 4-fluoro-5-methylpyrazole-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-5-methylpyrazole-1-carboxylic acid?
The canonical SMILES for 4-fluoro-5-methylpyrazole-1-carboxylic acid is Cc1c(F)cnn1C(=O)O.
What is the InChIKey of 4-fluoro-5-methylpyrazole-1-carboxylic acid?
The InChIKey is QMUUIUMOHJWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c1-3-4(6)2-7-8(3)5(9)10/h2H,1H3,(H,9,10).
What are the key properties of 4-fluoro-5-methylpyrazole-1-carboxylic acid?
4-fluoro-5-methylpyrazole-1-carboxylic acid has a molecular weight of 144.11 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylpyrazole-1-carboxylic acid is sourced from PubChem (CID 146345939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).