5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C10H11N3O3 — CID 105477090

IUPAC5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1nc2c(C=O)cnn2c(OC)c1C
InChIInChI=1S/C10H11N3O3/c1-6-9(15-2)12-8-7(5-14)4-11-13(8)10(6)16-3/h4-5H,1-3H3
InChIKeyKZWMJJZSYPHWKL-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.87
Rot. Bonds3

About 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 105477090) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID105477090
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCOc1nc2c(C=O)cnn2c(OC)c1C
InChIInChI=1S/C10H11N3O3/c1-6-9(15-2)12-8-7(5-14)4-11-13(8)10(6)16-3/h4-5H,1-3H3
InChIKeyKZWMJJZSYPHWKL-UHFFFAOYSA-N
XLogP0.87
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 105477090) is 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is COc1nc2c(C=O)cnn2c(OC)c1C.
What is the InChIKey of 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is KZWMJJZSYPHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-9(15-2)12-8-7(5-14)4-11-13(8)10(6)16-3/h4-5H,1-3H3.
What are the key properties of 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 221.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-6-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 105477090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).