7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C9H9N3O2 — CID 105444740

IUPAC7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccnc2c(C=O)c(C)nn12
InChIInChI=1S/C9H9N3O2/c1-6-7(5-13)9-10-4-3-8(14-2)12(9)11-6/h3-5H,1-2H3
InChIKeyQCKHKLQKKVQSHV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.86
Rot. Bonds2

About 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 105444740) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID105444740
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1ccnc2c(C=O)c(C)nn12
InChIInChI=1S/C9H9N3O2/c1-6-7(5-13)9-10-4-3-8(14-2)12(9)11-6/h3-5H,1-2H3
InChIKeyQCKHKLQKKVQSHV-UHFFFAOYSA-N
XLogP0.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 105444740) is 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is COc1ccnc2c(C=O)c(C)nn12.
What is the InChIKey of 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is QCKHKLQKKVQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-7(5-13)9-10-4-3-8(14-2)12(9)11-6/h3-5H,1-2H3.
What are the key properties of 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 105444740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).