2-(difluoromethyl)pyrazole-3-carboxylic acid

C5H4F2N2O2 — CID 3154179

IUPAC2-(difluoromethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C(F)F
InChIInChI=1S/C5H4F2N2O2/c6-5(7)9-3(4(10)11)1-2-8-9/h1-2,5H,(H,10,11)
InChIKeyQDABFWOLGXWIIX-UHFFFAOYSA-N
MW162.10 g/mol
LogP0.98
Rot. Bonds2

About 2-(difluoromethyl)pyrazole-3-carboxylic acid

2-(difluoromethyl)pyrazole-3-carboxylic acid (PubChem CID 3154179) has the molecular formula C5H4F2N2O2 and a molecular weight of 162.10 g/mol. Its IUPAC name is 2-(difluoromethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)pyrazole-3-carboxylic acid
PubChem CID3154179
Molecular FormulaC5H4F2N2O2
Molecular Weight162.10 g/mol
Exact Mass162.02
IUPAC Name2-(difluoromethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccnn1C(F)F
InChIInChI=1S/C5H4F2N2O2/c6-5(7)9-3(4(10)11)1-2-8-9/h1-2,5H,(H,10,11)
InChIKeyQDABFWOLGXWIIX-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)pyrazole-3-carboxylic acid (CID 3154179) is 2-(difluoromethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)pyrazole-3-carboxylic acid is O=C(O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)pyrazole-3-carboxylic acid?
The InChIKey is QDABFWOLGXWIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O2/c6-5(7)9-3(4(10)11)1-2-8-9/h1-2,5H,(H,10,11).
What are the key properties of 2-(difluoromethyl)pyrazole-3-carboxylic acid?
2-(difluoromethyl)pyrazole-3-carboxylic acid has a molecular weight of 162.10 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 3154179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).