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

C9H9N3O — CID 104621790

IUPAC3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCCc1cnn2cc(C=O)cnc12
InChIInChI=1S/C9H9N3O/c1-2-8-4-11-12-5-7(6-13)3-10-9(8)12/h3-6H,2H2,1H3
InChIKeyCKGOZWLTWNCVGK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.10
Rot. Bonds2

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

3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 104621790) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
PubChem CID104621790
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde
SMILESCCc1cnn2cc(C=O)cnc12
InChIInChI=1S/C9H9N3O/c1-2-8-4-11-12-5-7(6-13)3-10-9(8)12/h3-6H,2H2,1H3
InChIKeyCKGOZWLTWNCVGK-UHFFFAOYSA-N
XLogP1.10
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
CID 104621816
(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82502822
2-ethylpyrimidine-5-carbaldehyde
CID 3160971
3-ethyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 104619442
2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104818886
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641
1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylmethanamine
CID 84720808
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 133058331
1-[(2S)-butan-2-yl]pyrazole-4-carbaldehyde
CID 42575026
(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 84718696
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 82404041
2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde
CID 83872984

Frequently Asked Questions

What is the IUPAC name of 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 104621790) is 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is CCc1cnn2cc(C=O)cnc12.
What is the InChIKey of 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is CKGOZWLTWNCVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-8-4-11-12-5-7(6-13)3-10-9(8)12/h3-6H,2H2,1H3.
What are the key properties of 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 104621790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).