3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde

C8H7N3O — CID 104621789

IUPAC3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCc1cnn2cc(C=O)cnc12
InChIInChI=1S/C8H7N3O/c1-6-2-10-11-4-7(5-12)3-9-8(6)11/h2-5H,1H3
InChIKeyUZTNTZMYXUISIC-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.85
Rot. Bonds1

About 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde

3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 104621789) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID104621789
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCc1cnn2cc(C=O)cnc12
InChIInChI=1S/C8H7N3O/c1-6-2-10-11-4-7(5-12)3-9-8(6)11/h2-5H,1H3
InChIKeyUZTNTZMYXUISIC-UHFFFAOYSA-N
XLogP0.85
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.85
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 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 104621789) is 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is Cc1cnn2cc(C=O)cnc12.
What is the InChIKey of 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is UZTNTZMYXUISIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-2-10-11-4-7(5-12)3-9-8(6)11/h2-5H,1H3.
What are the key properties of 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 104621789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).