pyrano[3,4-c]pyrazole-3-carboxylic acid

C7H4N2O3 — CID 154021283

IUPACpyrano[3,4-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nnc2coccc1-2
InChIInChI=1S/C7H4N2O3/c10-7(11)6-4-1-2-12-3-5(4)8-9-6/h1-3H,(H,10,11)
InChIKeyXGARXEACRKTOKU-UHFFFAOYSA-N
MW164.12 g/mol
LogP0.87
Rot. Bonds1

About pyrano[3,4-c]pyrazole-3-carboxylic acid

pyrano[3,4-c]pyrazole-3-carboxylic acid (PubChem CID 154021283) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is pyrano[3,4-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Namepyrano[3,4-c]pyrazole-3-carboxylic acid
PubChem CID154021283
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Namepyrano[3,4-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nnc2coccc1-2
InChIInChI=1S/C7H4N2O3/c10-7(11)6-4-1-2-12-3-5(4)8-9-6/h1-3H,(H,10,11)
InChIKeyXGARXEACRKTOKU-UHFFFAOYSA-N
XLogP0.87
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 129663218
CID 129663218
CID 68415020
CID 68415020
CID 141269587
CID 141269587
CID 162789196
CID 162789196

Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-c]pyrazole-3-carboxylic acid?
The IUPAC name of pyrano[3,4-c]pyrazole-3-carboxylic acid (CID 154021283) is pyrano[3,4-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for pyrano[3,4-c]pyrazole-3-carboxylic acid?
The canonical SMILES for pyrano[3,4-c]pyrazole-3-carboxylic acid is O=C(O)c1nnc2coccc1-2.
What is the InChIKey of pyrano[3,4-c]pyrazole-3-carboxylic acid?
The InChIKey is XGARXEACRKTOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-7(11)6-4-1-2-12-3-5(4)8-9-6/h1-3H,(H,10,11).
What are the key properties of pyrano[3,4-c]pyrazole-3-carboxylic acid?
pyrano[3,4-c]pyrazole-3-carboxylic acid has a molecular weight of 164.12 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 154021283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).