5-(ethoxymethyl)-1,3-dimethylpyrazole

C8H14N2O — CID 45121372

IUPAC5-(ethoxymethyl)-1,3-dimethylpyrazole
SMILESCCOCc1cc(C)nn1C
InChIInChI=1S/C8H14N2O/c1-4-11-6-8-5-7(2)9-10(8)3/h5H,4,6H2,1-3H3
InChIKeyDLASMZRMNDSRDO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds3

About 5-(ethoxymethyl)-1,3-dimethylpyrazole

5-(ethoxymethyl)-1,3-dimethylpyrazole (PubChem CID 45121372) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-1,3-dimethylpyrazole
PubChem CID45121372
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-(ethoxymethyl)-1,3-dimethylpyrazole
SMILESCCOCc1cc(C)nn1C
InChIInChI=1S/C8H14N2O/c1-4-11-6-8-5-7(2)9-10(8)3/h5H,4,6H2,1-3H3
InChIKeyDLASMZRMNDSRDO-UHFFFAOYSA-N
XLogP1.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-(ethoxymethyl)-1,3-dimethylpyrazole (CID 45121372) is 5-(ethoxymethyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-(ethoxymethyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-(ethoxymethyl)-1,3-dimethylpyrazole is CCOCc1cc(C)nn1C.
What is the InChIKey of 5-(ethoxymethyl)-1,3-dimethylpyrazole?
The InChIKey is DLASMZRMNDSRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-11-6-8-5-7(2)9-10(8)3/h5H,4,6H2,1-3H3.
What are the key properties of 5-(ethoxymethyl)-1,3-dimethylpyrazole?
5-(ethoxymethyl)-1,3-dimethylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 45121372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).