4-ethoxy-1-ethylpyrazole

C7H12N2O — CID 56610146

IUPAC4-ethoxy-1-ethylpyrazole
SMILESCCOc1cnn(CC)c1
InChIInChI=1S/C7H12N2O/c1-3-9-6-7(5-8-9)10-4-2/h5-6H,3-4H2,1-2H3
InChIKeyCBKOGRUBXAUQNK-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.30
Rot. Bonds3

About 4-ethoxy-1-ethylpyrazole

4-ethoxy-1-ethylpyrazole (PubChem CID 56610146) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-ethoxy-1-ethylpyrazole.

Molecular Properties

Compound Name4-ethoxy-1-ethylpyrazole
PubChem CID56610146
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-ethoxy-1-ethylpyrazole
SMILESCCOc1cnn(CC)c1
InChIInChI=1S/C7H12N2O/c1-3-9-6-7(5-8-9)10-4-2/h5-6H,3-4H2,1-2H3
InChIKeyCBKOGRUBXAUQNK-UHFFFAOYSA-N
XLogP1.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 13018410
CID 13018410
CID 13018411
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CID 20479038
CID 116794077
CID 116794077
CID 122240485
CID 122240485
CID 138986049
CID 138986049
CID 12695060
CID 12695060
CID 99785968
CID 99785968
CID 102563823
CID 102563823
CID 57039471
CID 57039471
CID 89753546
CID 89753546
CID 91217050
CID 91217050

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-ethylpyrazole?
The IUPAC name of 4-ethoxy-1-ethylpyrazole (CID 56610146) is 4-ethoxy-1-ethylpyrazole.
What is the SMILES notation for 4-ethoxy-1-ethylpyrazole?
The canonical SMILES for 4-ethoxy-1-ethylpyrazole is CCOc1cnn(CC)c1.
What is the InChIKey of 4-ethoxy-1-ethylpyrazole?
The InChIKey is CBKOGRUBXAUQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-9-6-7(5-8-9)10-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-1-ethylpyrazole?
4-ethoxy-1-ethylpyrazole has a molecular weight of 140.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-ethylpyrazole is sourced from PubChem (CID 56610146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).