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

C11H12N4O — CID 58034540

IUPAC7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESNc1c(C=O)cnc2cc(C3CCC3)nn12
InChIInChI=1S/C11H12N4O/c12-11-8(6-16)5-13-10-4-9(14-15(10)11)7-2-1-3-7/h4-7H,1-3,12H2
InChIKeyOMYYZXAYWWRLKT-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.39
Rot. Bonds2

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

7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 58034540) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID58034540
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESNc1c(C=O)cnc2cc(C3CCC3)nn12
InChIInChI=1S/C11H12N4O/c12-11-8(6-16)5-13-10-4-9(14-15(10)11)7-2-1-3-7/h4-7H,1-3,12H2
InChIKeyOMYYZXAYWWRLKT-UHFFFAOYSA-N
XLogP1.39
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 58034540) is 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is Nc1c(C=O)cnc2cc(C3CCC3)nn12.
What is the InChIKey of 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is OMYYZXAYWWRLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-11-8(6-16)5-13-10-4-9(14-15(10)11)7-2-1-3-7/h4-7H,1-3,12H2.
What are the key properties of 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-cyclobutylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 58034540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).