ethane;5-methoxy-1-methylpyrazole

C7H14N2O — CID 142043210

IUPACethane;5-methoxy-1-methylpyrazole
SMILESCC.COc1ccnn1C
InChIInChI=1S/C5H8N2O.C2H6/c1-7-5(8-2)3-4-6-7;1-2/h3-4H,1-2H3;1-2H3
InChIKeyUVPXTDCAJIKJOB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds1

About ethane;5-methoxy-1-methylpyrazole

ethane;5-methoxy-1-methylpyrazole (PubChem CID 142043210) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is ethane;5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Nameethane;5-methoxy-1-methylpyrazole
PubChem CID142043210
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameethane;5-methoxy-1-methylpyrazole
SMILESCC.COc1ccnn1C
InChIInChI=1S/C5H8N2O.C2H6/c1-7-5(8-2)3-4-6-7;1-2/h3-4H,1-2H3;1-2H3
InChIKeyUVPXTDCAJIKJOB-UHFFFAOYSA-N
XLogP1.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-1-methylpyrazole?
The IUPAC name of ethane;5-methoxy-1-methylpyrazole (CID 142043210) is ethane;5-methoxy-1-methylpyrazole.
What is the SMILES notation for ethane;5-methoxy-1-methylpyrazole?
The canonical SMILES for ethane;5-methoxy-1-methylpyrazole is CC.COc1ccnn1C.
What is the InChIKey of ethane;5-methoxy-1-methylpyrazole?
The InChIKey is UVPXTDCAJIKJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6/c1-7-5(8-2)3-4-6-7;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;5-methoxy-1-methylpyrazole?
ethane;5-methoxy-1-methylpyrazole has a molecular weight of 142.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-1-methylpyrazole is sourced from PubChem (CID 142043210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).