5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde

C7H10N2O2 — CID 2764304

IUPAC5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1c(C=O)c(C)nn1C
InChIInChI=1S/C7H10N2O2/c1-5-6(4-10)7(11-3)9(2)8-5/h4H,1-3H3
InChIKeyHITOGDKGNNDJPC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.55
Rot. Bonds2

About 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde

5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 2764304) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID2764304
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1c(C=O)c(C)nn1C
InChIInChI=1S/C7H10N2O2/c1-5-6(4-10)7(11-3)9(2)8-5/h4H,1-3H3
InChIKeyHITOGDKGNNDJPC-UHFFFAOYSA-N
XLogP0.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.55
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 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde (CID 2764304) is 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde is COc1c(C=O)c(C)nn1C.
What is the InChIKey of 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is HITOGDKGNNDJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-6(4-10)7(11-3)9(2)8-5/h4H,1-3H3.
What are the key properties of 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde?
5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 2764304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).