2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid

C15H12N4O2 — CID 104729800

IUPAC2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(c1nccn3nccc13)C2
InChIInChI=1S/C15H12N4O2/c20-15(21)10-1-2-11-8-18(9-12(11)7-10)14-13-3-4-17-19(13)6-5-16-14/h1-7H,8-9H2,(H,20,21)
InChIKeyOUWQCHZFCPIYJZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.95
Rot. Bonds2

About 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid

2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 104729800) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID104729800
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CN(c1nccn3nccc13)C2
InChIInChI=1S/C15H12N4O2/c20-15(21)10-1-2-11-8-18(9-12(11)7-10)14-13-3-4-17-19(13)6-5-16-14/h1-7H,8-9H2,(H,20,21)
InChIKeyOUWQCHZFCPIYJZ-UHFFFAOYSA-N
XLogP1.95
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid (CID 104729800) is 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CN(c1nccn3nccc13)C2.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is OUWQCHZFCPIYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c20-15(21)10-1-2-11-8-18(9-12(11)7-10)14-13-3-4-17-19(13)6-5-16-14/h1-7H,8-9H2,(H,20,21).
What are the key properties of 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid?
2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 280.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrazin-4-yl-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 104729800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).