6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde

C9H9N3O — CID 83816577

IUPAC6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESCc1cnc2cc(C=O)nn2c1C
InChIInChI=1S/C9H9N3O/c1-6-4-10-9-3-8(5-13)11-12(9)7(6)2/h3-5H,1-2H3
InChIKeyIKAWLWVSJUAAGZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.16
Rot. Bonds1

About 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde

6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde (PubChem CID 83816577) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde
PubChem CID83816577
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESCc1cnc2cc(C=O)nn2c1C
InChIInChI=1S/C9H9N3O/c1-6-4-10-9-3-8(5-13)11-12(9)7(6)2/h3-5H,1-2H3
InChIKeyIKAWLWVSJUAAGZ-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 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde (CID 83816577) is 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde is Cc1cnc2cc(C=O)nn2c1C.
What is the InChIKey of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The InChIKey is IKAWLWVSJUAAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-4-10-9-3-8(5-13)11-12(9)7(6)2/h3-5H,1-2H3.
What are the key properties of 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-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 6,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 83816577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).