2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C13H9N3O — CID 82271845

IUPAC2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn2cccnc12
InChIInChI=1S/C13H9N3O/c17-9-11-12(10-5-2-1-3-6-10)15-16-8-4-7-14-13(11)16/h1-9H
InChIKeyQSHZOLJYYBWAAO-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.21
Rot. Bonds2

About 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 82271845) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID82271845
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn2cccnc12
InChIInChI=1S/C13H9N3O/c17-9-11-12(10-5-2-1-3-6-10)15-16-8-4-7-14-13(11)16/h1-9H
InChIKeyQSHZOLJYYBWAAO-UHFFFAOYSA-N
XLogP2.21
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.21
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 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 82271845) is 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1c(-c2ccccc2)nn2cccnc12.
What is the InChIKey of 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is QSHZOLJYYBWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-9-11-12(10-5-2-1-3-6-10)15-16-8-4-7-14-13(11)16/h1-9H.
What are the key properties of 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 223.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 82271845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).