acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole

C9H16N2O2 — CID 144516291

IUPACacetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
SMILESCC=O.COCCn1cc(C)cn1
InChIInChI=1S/C7H12N2O.C2H4O/c1-7-5-8-9(6-7)3-4-10-2;1-2-3/h5-6H,3-4H2,1-2H3;2H,1H3
InChIKeyZBYQFNSRWPGIBT-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.04
Rot. Bonds3

About acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole

acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole (PubChem CID 144516291) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole.

Molecular Properties

Compound Nameacetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
PubChem CID144516291
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameacetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
SMILESCC=O.COCCn1cc(C)cn1
InChIInChI=1S/C7H12N2O.C2H4O/c1-7-5-8-9(6-7)3-4-10-2;1-2-3/h5-6H,3-4H2,1-2H3;2H,1H3
InChIKeyZBYQFNSRWPGIBT-UHFFFAOYSA-N
XLogP1.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
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 acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole?
The IUPAC name of acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole (CID 144516291) is acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole.
What is the SMILES notation for acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole?
The canonical SMILES for acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole is CC=O.COCCn1cc(C)cn1.
What is the InChIKey of acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole?
The InChIKey is ZBYQFNSRWPGIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H4O/c1-7-5-8-9(6-7)3-4-10-2;1-2-3/h5-6H,3-4H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole?
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole has a molecular weight of 184.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole is sourced from PubChem (CID 144516291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).