6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde

C14H11N3O — CID 84727473

IUPAC6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESCc1ccc(-c2cnc3cc(C=O)nn3c2)cc1
InChIInChI=1S/C14H11N3O/c1-10-2-4-11(5-3-10)12-7-15-14-6-13(9-18)16-17(14)8-12/h2-9H,1H3
InChIKeyRIMJKXXBQUSDII-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.52
Rot. Bonds2

About 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde

6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde (PubChem CID 84727473) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde
PubChem CID84727473
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde
SMILESCc1ccc(-c2cnc3cc(C=O)nn3c2)cc1
InChIInChI=1S/C14H11N3O/c1-10-2-4-11(5-3-10)12-7-15-14-6-13(9-18)16-17(14)8-12/h2-9H,1H3
InChIKeyRIMJKXXBQUSDII-UHFFFAOYSA-N
XLogP2.52
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.52
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 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde (CID 84727473) is 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde is Cc1ccc(-c2cnc3cc(C=O)nn3c2)cc1.
What is the InChIKey of 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
The InChIKey is RIMJKXXBQUSDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-2-4-11(5-3-10)12-7-15-14-6-13(9-18)16-17(14)8-12/h2-9H,1H3.
What are the key properties of 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde?
6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 84727473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).