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

C8H7N3O — CID 83815717

IUPAC6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1cnc2c(C=O)cnn2c1
InChIInChI=1S/C8H7N3O/c1-6-2-9-8-7(5-12)3-10-11(8)4-6/h2-5H,1H3
InChIKeyKYWSVSMGCCNXCT-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.85
Rot. Bonds1

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

6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 83815717) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID83815717
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCc1cnc2c(C=O)cnn2c1
InChIInChI=1S/C8H7N3O/c1-6-2-9-8-7(5-12)3-10-11(8)4-6/h2-5H,1H3
InChIKeyKYWSVSMGCCNXCT-UHFFFAOYSA-N
XLogP0.85
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.85
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-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 83815717) is 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Cc1cnc2c(C=O)cnn2c1.
What is the InChIKey of 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is KYWSVSMGCCNXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-2-9-8-7(5-12)3-10-11(8)4-6/h2-5H,1H3.
What are the key properties of 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 83815717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).