methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde

C7H12N2O3 — CID 167495800

IUPACmethoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde
SMILESCOC.Cn1[nH]c(C=O)cc1=O
InChIInChI=1S/C5H6N2O2.C2H6O/c1-7-5(9)2-4(3-8)6-7;1-3-2/h2-3,6H,1H3;1-2H3
InChIKeyFFANKFJLWDLJCZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.21
Rot. Bonds1

About methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde

methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde (PubChem CID 167495800) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Namemethoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde
PubChem CID167495800
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namemethoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde
SMILESCOC.Cn1[nH]c(C=O)cc1=O
InChIInChI=1S/C5H6N2O2.C2H6O/c1-7-5(9)2-4(3-8)6-7;1-3-2/h2-3,6H,1H3;1-2H3
InChIKeyFFANKFJLWDLJCZ-UHFFFAOYSA-N
XLogP-0.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde?
The IUPAC name of methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde (CID 167495800) is methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde is COC.Cn1[nH]c(C=O)cc1=O.
What is the InChIKey of methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde?
The InChIKey is FFANKFJLWDLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H6O/c1-7-5(9)2-4(3-8)6-7;1-3-2/h2-3,6H,1H3;1-2H3.
What are the key properties of methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde?
methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde has a molecular weight of 172.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-methyl-3-oxo-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 167495800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).