5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C9H9N3O — CID 6484683

IUPAC5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1cc(C)n2ncc(C=O)c2n1
InChIInChI=1S/C9H9N3O/c1-6-3-7(2)12-9(11-6)8(5-13)4-10-12/h3-5H,1-2H3
InChIKeyMYZRYTYZNHXGQA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.16
Rot. Bonds1

About 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 6484683) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID6484683
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1cc(C)n2ncc(C=O)c2n1
InChIInChI=1S/C9H9N3O/c1-6-3-7(2)12-9(11-6)8(5-13)4-10-12/h3-5H,1-2H3
InChIKeyMYZRYTYZNHXGQA-UHFFFAOYSA-N
XLogP1.16
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.16
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 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 6484683) is 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Cc1cc(C)n2ncc(C=O)c2n1.
What is the InChIKey of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is MYZRYTYZNHXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-3-7(2)12-9(11-6)8(5-13)4-10-12/h3-5H,1-2H3.
What are the key properties of 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 6484683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).