2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid

C8H11N3O2 — CID 84657825

IUPAC2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
SMILESCc1cc2n(n1)CC(C(=O)O)NC2
InChIInChI=1S/C8H11N3O2/c1-5-2-6-3-9-7(8(12)13)4-11(6)10-5/h2,7,9H,3-4H2,1H3,(H,12,13)
InChIKeyVJSCDUGTBHTXRI-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.25
Rot. Bonds1

About 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid

2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid (PubChem CID 84657825) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
PubChem CID84657825
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
SMILESCc1cc2n(n1)CC(C(=O)O)NC2
InChIInChI=1S/C8H11N3O2/c1-5-2-6-3-9-7(8(12)13)4-11(6)10-5/h2,7,9H,3-4H2,1H3,(H,12,13)
InChIKeyVJSCDUGTBHTXRI-UHFFFAOYSA-N
XLogP-0.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid (CID 84657825) is 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid is Cc1cc2n(n1)CC(C(=O)O)NC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid?
The InChIKey is VJSCDUGTBHTXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-2-6-3-9-7(8(12)13)4-11(6)10-5/h2,7,9H,3-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid?
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 84657825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).