4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid

C9H9N3O2 — CID 91659172

IUPAC4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1cn2nc(C(=O)O)cc2c(C)n1
InChIInChI=1S/C9H9N3O2/c1-5-4-12-8(6(2)10-5)3-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyUKDFQTCSCQMWRQ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.04
Rot. Bonds1

About 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid

4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 91659172) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID91659172
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1cn2nc(C(=O)O)cc2c(C)n1
InChIInChI=1S/C9H9N3O2/c1-5-4-12-8(6(2)10-5)3-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKeyUKDFQTCSCQMWRQ-UHFFFAOYSA-N
XLogP1.04
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 91659172) is 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid is Cc1cn2nc(C(=O)O)cc2c(C)n1.
What is the InChIKey of 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is UKDFQTCSCQMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-4-12-8(6(2)10-5)3-7(11-12)9(13)14/h3-4H,1-2H3,(H,13,14).
What are the key properties of 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid?
4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 91659172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).