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

C7H4ClN3O — CID 58196401

IUPAC5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C7H4ClN3O/c8-6-1-2-11-7(10-6)5(4-12)3-9-11/h1-4H
InChIKeyNYWPUMGVBDABLA-UHFFFAOYSA-N
MW181.58 g/mol
LogP1.20
Rot. Bonds1

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

5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 58196401) has the molecular formula C7H4ClN3O and a molecular weight of 181.58 g/mol. Its IUPAC name is 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID58196401
Molecular FormulaC7H4ClN3O
Molecular Weight181.58 g/mol
Exact Mass181.00
IUPAC Name5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(Cl)nc12
InChIInChI=1S/C7H4ClN3O/c8-6-1-2-11-7(10-6)5(4-12)3-9-11/h1-4H
InChIKeyNYWPUMGVBDABLA-UHFFFAOYSA-N
XLogP1.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.58
LogP ≤ 51.20
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-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 58196401) is 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2ccc(Cl)nc12.
What is the InChIKey of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is NYWPUMGVBDABLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O/c8-6-1-2-11-7(10-6)5(4-12)3-9-11/h1-4H.
What are the key properties of 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 181.58 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 58196401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).