7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C7H5N3O2 — CID 89290392

IUPAC7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C7H5N3O2/c11-4-5-3-9-10-6(12)1-2-8-7(5)10/h1-4,9H
InChIKeyHQUOSCSEDPLJFZ-UHFFFAOYSA-N
MW163.14 g/mol
LogP-0.16
Rot. Bonds1

About 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 89290392) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID89290392
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C7H5N3O2/c11-4-5-3-9-10-6(12)1-2-8-7(5)10/h1-4,9H
InChIKeyHQUOSCSEDPLJFZ-UHFFFAOYSA-N
XLogP-0.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
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 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 89290392) is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1c[nH]n2c(=O)ccnc12.
What is the InChIKey of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is HQUOSCSEDPLJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-4-5-3-9-10-6(12)1-2-8-7(5)10/h1-4,9H.
What are the key properties of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 163.14 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 89290392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).