pyrazolo[1,5-a]pyrimidine-5-carbaldehyde

C7H5N3O — CID 105428995

IUPACpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESO=Cc1ccn2nccc2n1
InChIInChI=1S/C7H5N3O/c11-5-6-2-4-10-7(9-6)1-3-8-10/h1-5H
InChIKeyJNGJGNIJQQXKDI-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.54
Rot. Bonds1

About pyrazolo[1,5-a]pyrimidine-5-carbaldehyde

pyrazolo[1,5-a]pyrimidine-5-carbaldehyde (PubChem CID 105428995) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrazolo[1,5-a]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Namepyrazolo[1,5-a]pyrimidine-5-carbaldehyde
PubChem CID105428995
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namepyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESO=Cc1ccn2nccc2n1
InChIInChI=1S/C7H5N3O/c11-5-6-2-4-10-7(9-6)1-3-8-10/h1-5H
InChIKeyJNGJGNIJQQXKDI-UHFFFAOYSA-N
XLogP0.54
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The IUPAC name of pyrazolo[1,5-a]pyrimidine-5-carbaldehyde (CID 105428995) is pyrazolo[1,5-a]pyrimidine-5-carbaldehyde.
What is the SMILES notation for pyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The canonical SMILES for pyrazolo[1,5-a]pyrimidine-5-carbaldehyde is O=Cc1ccn2nccc2n1.
What is the InChIKey of pyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The InChIKey is JNGJGNIJQQXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-5-6-2-4-10-7(9-6)1-3-8-10/h1-5H.
What are the key properties of pyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
pyrazolo[1,5-a]pyrimidine-5-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[1,5-a]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 105428995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).