1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

C7H7N3O2 — CID 172843945

IUPAC1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)C1=CNN2CC=NC=C12
InChIInChI=1S/C7H7N3O2/c11-7(12)5-3-9-10-2-1-8-4-6(5)10/h1,3-4,9H,2H2,(H,11,12)
InChIKeyXDXFCQIYEHQSAR-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.30
Rot. Bonds1

About 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 172843945) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID172843945
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)C1=CNN2CC=NC=C12
InChIInChI=1S/C7H7N3O2/c11-7(12)5-3-9-10-2-1-8-4-6(5)10/h1,3-4,9H,2H2,(H,11,12)
InChIKeyXDXFCQIYEHQSAR-UHFFFAOYSA-N
XLogP-0.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 172843945) is 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid is O=C(O)C1=CNN2CC=NC=C12.
What is the InChIKey of 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is XDXFCQIYEHQSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-7(12)5-3-9-10-2-1-8-4-6(5)10/h1,3-4,9H,2H2,(H,11,12).
What are the key properties of 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid?
1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 172843945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).