4-fluoro-1H-pyrazole-5-carboxylic acid

C4H3FN2O2 — CID 55298956

IUPAC4-fluoro-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1F
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKeyWCXNFMBCBLMCDP-UHFFFAOYSA-N
MW130.08 g/mol
LogP0.25
Rot. Bonds1

About 4-fluoro-1H-pyrazole-5-carboxylic acid

4-fluoro-1H-pyrazole-5-carboxylic acid (PubChem CID 55298956) has the molecular formula C4H3FN2O2 and a molecular weight of 130.08 g/mol. Its IUPAC name is 4-fluoro-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-1H-pyrazole-5-carboxylic acid
PubChem CID55298956
Molecular FormulaC4H3FN2O2
Molecular Weight130.08 g/mol
Exact Mass130.02
IUPAC Name4-fluoro-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1F
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKeyWCXNFMBCBLMCDP-UHFFFAOYSA-N
XLogP0.25
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.08
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-fluoro-1H-pyrazole-5-carboxylic acid (CID 55298956) is 4-fluoro-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-fluoro-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-fluoro-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1F.
What is the InChIKey of 4-fluoro-1H-pyrazole-5-carboxylic acid?
The InChIKey is WCXNFMBCBLMCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9).
What are the key properties of 4-fluoro-1H-pyrazole-5-carboxylic acid?
4-fluoro-1H-pyrazole-5-carboxylic acid has a molecular weight of 130.08 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 55298956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).