3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C7H11N3O2 — CID 118080165

IUPAC3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESO=C(O)N1CCN2NC=CC2C1
InChIInChI=1S/C7H11N3O2/c11-7(12)9-3-4-10-6(5-9)1-2-8-10/h1-2,6,8H,3-5H2,(H,11,12)
InChIKeyRMVUYSNTBSVTOA-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.32
Rot. Bonds

About 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 118080165) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID118080165
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESO=C(O)N1CCN2NC=CC2C1
InChIInChI=1S/C7H11N3O2/c11-7(12)9-3-4-10-6(5-9)1-2-8-10/h1-2,6,8H,3-5H2,(H,11,12)
InChIKeyRMVUYSNTBSVTOA-UHFFFAOYSA-N
XLogP-0.32
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484204
6,7-dihydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 157641405

Frequently Asked Questions

What is the IUPAC name of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 118080165) is 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is O=C(O)N1CCN2NC=CC2C1.
What is the InChIKey of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is RMVUYSNTBSVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-7(12)9-3-4-10-6(5-9)1-2-8-10/h1-2,6,8H,3-5H2,(H,11,12).
What are the key properties of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 118080165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).