2,5-dimethyl-1H-pyrazol-3-one;methoxymethane

C7H14N2O2 — CID 178007008

IUPAC2,5-dimethyl-1H-pyrazol-3-one;methoxymethane
SMILESCOC.Cc1cc(=O)n(C)[nH]1
InChIInChI=1S/C5H8N2O.C2H6O/c1-4-3-5(8)7(2)6-4;1-3-2/h3,6H,1-2H3;1-2H3
InChIKeyBYTHFTWDNJTFJE-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.28
Rot. Bonds

About 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane

2,5-dimethyl-1H-pyrazol-3-one;methoxymethane (PubChem CID 178007008) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrazol-3-one;methoxymethane
PubChem CID178007008
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2,5-dimethyl-1H-pyrazol-3-one;methoxymethane
SMILESCOC.Cc1cc(=O)n(C)[nH]1
InChIInChI=1S/C5H8N2O.C2H6O/c1-4-3-5(8)7(2)6-4;1-3-2/h3,6H,1-2H3;1-2H3
InChIKeyBYTHFTWDNJTFJE-UHFFFAOYSA-N
XLogP0.28
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane?
The IUPAC name of 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane (CID 178007008) is 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane.
What is the SMILES notation for 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane?
The canonical SMILES for 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane is COC.Cc1cc(=O)n(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane?
The InChIKey is BYTHFTWDNJTFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6O/c1-4-3-5(8)7(2)6-4;1-3-2/h3,6H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane?
2,5-dimethyl-1H-pyrazol-3-one;methoxymethane has a molecular weight of 158.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-pyrazol-3-one;methoxymethane is sourced from PubChem (CID 178007008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).