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

C8H6ClN3O — CID 84666546

IUPAC2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1cnc2c(C=O)c(Cl)nn2c1
InChIInChI=1S/C8H6ClN3O/c1-5-2-10-8-6(4-13)7(9)11-12(8)3-5/h2-4H,1H3
InChIKeyVHHIZMLJFPUMNI-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.50
Rot. Bonds1

About 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 84666546) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID84666546
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1cnc2c(C=O)c(Cl)nn2c1
InChIInChI=1S/C8H6ClN3O/c1-5-2-10-8-6(4-13)7(9)11-12(8)3-5/h2-4H,1H3
InChIKeyVHHIZMLJFPUMNI-UHFFFAOYSA-N
XLogP1.50
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.50
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 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 84666546) is 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Cc1cnc2c(C=O)c(Cl)nn2c1.
What is the InChIKey of 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is VHHIZMLJFPUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-5-2-10-8-6(4-13)7(9)11-12(8)3-5/h2-4H,1H3.
What are the key properties of 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 195.61 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 84666546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).