3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid

C11H9N5O2 — CID 104733305

IUPAC3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2nccn3nccc23)cc1C(=O)O
InChIInChI=1S/C11H9N5O2/c1-7-8(11(17)18)6-16(14-7)10-9-2-3-13-15(9)5-4-12-10/h2-6H,1H3,(H,17,18)
InChIKeyCHAIWMDZDVSSTL-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.92
Rot. Bonds2

About 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid

3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid (PubChem CID 104733305) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid
PubChem CID104733305
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2nccn3nccc23)cc1C(=O)O
InChIInChI=1S/C11H9N5O2/c1-7-8(11(17)18)6-16(14-7)10-9-2-3-13-15(9)5-4-12-10/h2-6H,1H3,(H,17,18)
InChIKeyCHAIWMDZDVSSTL-UHFFFAOYSA-N
XLogP0.92
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid (CID 104733305) is 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid is Cc1nn(-c2nccn3nccc23)cc1C(=O)O.
What is the InChIKey of 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid?
The InChIKey is CHAIWMDZDVSSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-7-8(11(17)18)6-16(14-7)10-9-2-3-13-15(9)5-4-12-10/h2-6H,1H3,(H,17,18).
What are the key properties of 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid?
3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid has a molecular weight of 243.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 104733305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).