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

C9H9N3O — CID 91079076

IUPAC5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCCc1ccn2ncc(C=O)c2n1
InChIInChI=1S/C9H9N3O/c1-2-8-3-4-12-9(11-8)7(6-13)5-10-12/h3-6H,2H2,1H3
InChIKeyLPVISGMYLXXKMH-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.10
Rot. Bonds2

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

5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 91079076) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID91079076
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCCc1ccn2ncc(C=O)c2n1
InChIInChI=1S/C9H9N3O/c1-2-8-3-4-12-9(11-8)7(6-13)5-10-12/h3-6H,2H2,1H3
InChIKeyLPVISGMYLXXKMH-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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Frequently Asked Questions

What is the IUPAC name of 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 91079076) is 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is CCc1ccn2ncc(C=O)c2n1.
What is the InChIKey of 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is LPVISGMYLXXKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-2-8-3-4-12-9(11-8)7(6-13)5-10-12/h3-6H,2H2,1H3.
What are the key properties of 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-ethylpyrazolo[1,5-a]pyrimidine-3-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 5-ethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 91079076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).