5-ethoxy-1,3-dimethylpyrazole

C7H12N2O — CID 6422219

IUPAC5-ethoxy-1,3-dimethylpyrazole
SMILESCCOc1cc(C)nn1C
InChIInChI=1S/C7H12N2O/c1-4-10-7-5-6(2)8-9(7)3/h5H,4H2,1-3H3
InChIKeyULDYZKNULMCCIL-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.13
Rot. Bonds2

About 5-ethoxy-1,3-dimethylpyrazole

5-ethoxy-1,3-dimethylpyrazole (PubChem CID 6422219) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-ethoxy-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-ethoxy-1,3-dimethylpyrazole
PubChem CID6422219
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-ethoxy-1,3-dimethylpyrazole
SMILESCCOc1cc(C)nn1C
InChIInChI=1S/C7H12N2O/c1-4-10-7-5-6(2)8-9(7)3/h5H,4H2,1-3H3
InChIKeyULDYZKNULMCCIL-UHFFFAOYSA-N
XLogP1.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3-dimethylpyrazole?
The IUPAC name of 5-ethoxy-1,3-dimethylpyrazole (CID 6422219) is 5-ethoxy-1,3-dimethylpyrazole.
What is the SMILES notation for 5-ethoxy-1,3-dimethylpyrazole?
The canonical SMILES for 5-ethoxy-1,3-dimethylpyrazole is CCOc1cc(C)nn1C.
What is the InChIKey of 5-ethoxy-1,3-dimethylpyrazole?
The InChIKey is ULDYZKNULMCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-10-7-5-6(2)8-9(7)3/h5H,4H2,1-3H3.
What are the key properties of 5-ethoxy-1,3-dimethylpyrazole?
5-ethoxy-1,3-dimethylpyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-dimethylpyrazole is sourced from PubChem (CID 6422219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).