6H-furo[3,4-c]pyrazole-3-carboxylic acid

C6H4N2O3 — CID 129137179

IUPAC6H-furo[3,4-c]pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN=C2COC=C21
InChIInChI=1S/C6H4N2O3/c9-6(10)5-3-1-11-2-4(3)7-8-5/h1H,2H2,(H,9,10)
InChIKeyULKXZKRMMIONPH-UHFFFAOYSA-N
MW152.11 g/mol
LogP-0.20
Rot. Bonds1

About 6H-furo[3,4-c]pyrazole-3-carboxylic acid

6H-furo[3,4-c]pyrazole-3-carboxylic acid (PubChem CID 129137179) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 6H-furo[3,4-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name6H-furo[3,4-c]pyrazole-3-carboxylic acid
PubChem CID129137179
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name6H-furo[3,4-c]pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN=C2COC=C21
InChIInChI=1S/C6H4N2O3/c9-6(10)5-3-1-11-2-4(3)7-8-5/h1H,2H2,(H,9,10)
InChIKeyULKXZKRMMIONPH-UHFFFAOYSA-N
XLogP-0.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6H-furo[3,4-c]pyrazole-3-carboxylic acid?
The IUPAC name of 6H-furo[3,4-c]pyrazole-3-carboxylic acid (CID 129137179) is 6H-furo[3,4-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 6H-furo[3,4-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 6H-furo[3,4-c]pyrazole-3-carboxylic acid is O=C(O)C1=NN=C2COC=C21.
What is the InChIKey of 6H-furo[3,4-c]pyrazole-3-carboxylic acid?
The InChIKey is ULKXZKRMMIONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c9-6(10)5-3-1-11-2-4(3)7-8-5/h1H,2H2,(H,9,10).
What are the key properties of 6H-furo[3,4-c]pyrazole-3-carboxylic acid?
6H-furo[3,4-c]pyrazole-3-carboxylic acid has a molecular weight of 152.11 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-furo[3,4-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 129137179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).