methanol;2-methylpyrazole-3-carbaldehyde

C6H10N2O2 — CID 143813492

IUPACmethanol;2-methylpyrazole-3-carbaldehyde
SMILESCO.Cn1nccc1C=O
InChIInChI=1S/C5H6N2O.CH4O/c1-7-5(4-8)2-3-6-7;1-2/h2-4H,1H3;2H,1H3
InChIKeyKULYQPJWZDBWNY-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.16
Rot. Bonds1

About methanol;2-methylpyrazole-3-carbaldehyde

methanol;2-methylpyrazole-3-carbaldehyde (PubChem CID 143813492) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is methanol;2-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Namemethanol;2-methylpyrazole-3-carbaldehyde
PubChem CID143813492
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namemethanol;2-methylpyrazole-3-carbaldehyde
SMILESCO.Cn1nccc1C=O
InChIInChI=1S/C5H6N2O.CH4O/c1-7-5(4-8)2-3-6-7;1-2/h2-4H,1H3;2H,1H3
InChIKeyKULYQPJWZDBWNY-UHFFFAOYSA-N
XLogP-0.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.16
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 methanol;2-methylpyrazole-3-carbaldehyde?
The IUPAC name of methanol;2-methylpyrazole-3-carbaldehyde (CID 143813492) is methanol;2-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for methanol;2-methylpyrazole-3-carbaldehyde?
The canonical SMILES for methanol;2-methylpyrazole-3-carbaldehyde is CO.Cn1nccc1C=O.
What is the InChIKey of methanol;2-methylpyrazole-3-carbaldehyde?
The InChIKey is KULYQPJWZDBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.CH4O/c1-7-5(4-8)2-3-6-7;1-2/h2-4H,1H3;2H,1H3.
What are the key properties of methanol;2-methylpyrazole-3-carbaldehyde?
methanol;2-methylpyrazole-3-carbaldehyde has a molecular weight of 142.16 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 143813492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).