acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole

C13H22N2O3 — CID 166528283

IUPACacetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole
SMILESCC=O.CCCc1cn(C)nc1OC1COC1C
InChIInChI=1S/C11H18N2O2.C2H4O/c1-4-5-9-6-13(3)12-11(9)15-10-7-14-8(10)2;1-2-3/h6,8,10H,4-5,7H2,1-3H3;2H,1H3
InChIKeyGULBZSSZWGIHCQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.74
Rot. Bonds4

About acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole

acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole (PubChem CID 166528283) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole.

Molecular Properties

Compound Nameacetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole
PubChem CID166528283
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameacetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole
SMILESCC=O.CCCc1cn(C)nc1OC1COC1C
InChIInChI=1S/C11H18N2O2.C2H4O/c1-4-5-9-6-13(3)12-11(9)15-10-7-14-8(10)2;1-2-3/h6,8,10H,4-5,7H2,1-3H3;2H,1H3
InChIKeyGULBZSSZWGIHCQ-UHFFFAOYSA-N
XLogP1.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole?
The IUPAC name of acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole (CID 166528283) is acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole.
What is the SMILES notation for acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole?
The canonical SMILES for acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole is CC=O.CCCc1cn(C)nc1OC1COC1C.
What is the InChIKey of acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole?
The InChIKey is GULBZSSZWGIHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H4O/c1-4-5-9-6-13(3)12-11(9)15-10-7-14-8(10)2;1-2-3/h6,8,10H,4-5,7H2,1-3H3;2H,1H3.
What are the key properties of acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole?
acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole has a molecular weight of 254.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-methyl-3-(2-methyloxetan-3-yl)oxy-4-propylpyrazole is sourced from PubChem (CID 166528283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).