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

C13H9N3O — CID 84725211

IUPAC6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1cc2ncc(-c3ccccc3)cn2n1
InChIInChI=1S/C13H9N3O/c17-9-12-6-13-14-7-11(8-16(13)15-12)10-4-2-1-3-5-10/h1-9H
InChIKeyLAXMWUDKTCTKST-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.21
Rot. Bonds2

About 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde

6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde (PubChem CID 84725211) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde
PubChem CID84725211
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1cc2ncc(-c3ccccc3)cn2n1
InChIInChI=1S/C13H9N3O/c17-9-12-6-13-14-7-11(8-16(13)15-12)10-4-2-1-3-5-10/h1-9H
InChIKeyLAXMWUDKTCTKST-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 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde (CID 84725211) is 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde is O=Cc1cc2ncc(-c3ccccc3)cn2n1.
What is the InChIKey of 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The InChIKey is LAXMWUDKTCTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-9-12-6-13-14-7-11(8-16(13)15-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
6-phenylpyrazolo[1,5-a]pyrimidine-2-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 6-phenylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 84725211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).