pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate

C8H4N4O2 — CID 103513084

IUPACpyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate
SMILESO=C=NC(=O)c1cnn2ccncc12
InChIInChI=1S/C8H4N4O2/c13-5-10-8(14)6-3-11-12-2-1-9-4-7(6)12/h1-4H
InChIKeyZVLFDCKWTGRIDU-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.21
Rot. Bonds1

About pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate

pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate (PubChem CID 103513084) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate
PubChem CID103513084
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Namepyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate
SMILESO=C=NC(=O)c1cnn2ccncc12
InChIInChI=1S/C8H4N4O2/c13-5-10-8(14)6-3-11-12-2-1-9-4-7(6)12/h1-4H
InChIKeyZVLFDCKWTGRIDU-UHFFFAOYSA-N
XLogP0.21
TPSA76.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate?
The IUPAC name of pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate (CID 103513084) is pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate.
What is the SMILES notation for pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate?
The canonical SMILES for pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate is O=C=NC(=O)c1cnn2ccncc12.
What is the InChIKey of pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate?
The InChIKey is ZVLFDCKWTGRIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O2/c13-5-10-8(14)6-3-11-12-2-1-9-4-7(6)12/h1-4H.
What are the key properties of pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate?
pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate has a molecular weight of 188.15 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate is sourced from PubChem (CID 103513084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).