6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid

C13H11N5O2 — CID 170635406

IUPAC6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(-c3cnn4c3CCC4)ncc12
InChIInChI=1S/C13H11N5O2/c19-13(20)9-5-16-18-7-10(14-6-12(9)18)8-4-15-17-3-1-2-11(8)17/h4-7H,1-3H2,(H,19,20)
InChIKeyGYTUUDZOMJITBU-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.24
Rot. Bonds2

About 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid

6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 170635406) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID170635406
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(-c3cnn4c3CCC4)ncc12
InChIInChI=1S/C13H11N5O2/c19-13(20)9-5-16-18-7-10(14-6-12(9)18)8-4-15-17-3-1-2-11(8)17/h4-7H,1-3H2,(H,19,20)
InChIKeyGYTUUDZOMJITBU-UHFFFAOYSA-N
XLogP1.24
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 170635406) is 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid is O=C(O)c1cnn2cc(-c3cnn4c3CCC4)ncc12.
What is the InChIKey of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is GYTUUDZOMJITBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c19-13(20)9-5-16-18-7-10(14-6-12(9)18)8-4-15-17-3-1-2-11(8)17/h4-7H,1-3H2,(H,19,20).
What are the key properties of 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 170635406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).