ethane;3-methoxy-1,5-dimethylpyrazole

C8H16N2O — CID 143913567

IUPACethane;3-methoxy-1,5-dimethylpyrazole
SMILESCC.COc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2O.C2H6/c1-5-4-6(9-3)7-8(5)2;1-2/h4H,1-3H3;1-2H3
InChIKeyDHTSEEGGLLMFMH-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.76
Rot. Bonds1

About ethane;3-methoxy-1,5-dimethylpyrazole

ethane;3-methoxy-1,5-dimethylpyrazole (PubChem CID 143913567) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethane;3-methoxy-1,5-dimethylpyrazole.

Molecular Properties

Compound Nameethane;3-methoxy-1,5-dimethylpyrazole
PubChem CID143913567
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethane;3-methoxy-1,5-dimethylpyrazole
SMILESCC.COc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2O.C2H6/c1-5-4-6(9-3)7-8(5)2;1-2/h4H,1-3H3;1-2H3
InChIKeyDHTSEEGGLLMFMH-UHFFFAOYSA-N
XLogP1.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-1,5-dimethylpyrazole?
The IUPAC name of ethane;3-methoxy-1,5-dimethylpyrazole (CID 143913567) is ethane;3-methoxy-1,5-dimethylpyrazole.
What is the SMILES notation for ethane;3-methoxy-1,5-dimethylpyrazole?
The canonical SMILES for ethane;3-methoxy-1,5-dimethylpyrazole is CC.COc1cc(C)n(C)n1.
What is the InChIKey of ethane;3-methoxy-1,5-dimethylpyrazole?
The InChIKey is DHTSEEGGLLMFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2H6/c1-5-4-6(9-3)7-8(5)2;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;3-methoxy-1,5-dimethylpyrazole?
ethane;3-methoxy-1,5-dimethylpyrazole has a molecular weight of 156.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-1,5-dimethylpyrazole is sourced from PubChem (CID 143913567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).