2-(4-ethoxypyrazol-1-yl)acetaldehyde

C7H10N2O2 — CID 117124915

IUPAC2-(4-ethoxypyrazol-1-yl)acetaldehyde
SMILESCCOc1cnn(CC=O)c1
InChIInChI=1S/C7H10N2O2/c1-2-11-7-5-8-9(6-7)3-4-10/h4-6H,2-3H2,1H3
InChIKeyCQQBLYRUTXPFCF-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds4

About 2-(4-ethoxypyrazol-1-yl)acetaldehyde

2-(4-ethoxypyrazol-1-yl)acetaldehyde (PubChem CID 117124915) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(4-ethoxypyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethoxypyrazol-1-yl)acetaldehyde
PubChem CID117124915
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(4-ethoxypyrazol-1-yl)acetaldehyde
SMILESCCOc1cnn(CC=O)c1
InChIInChI=1S/C7H10N2O2/c1-2-11-7-5-8-9(6-7)3-4-10/h4-6H,2-3H2,1H3
InChIKeyCQQBLYRUTXPFCF-UHFFFAOYSA-N
XLogP0.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-ethoxypyrazol-1-yl)-2-methylpropanoic acid
CID 165486179
2-(4-ethoxypyrazol-1-yl)-N-methylethanamine
CID 117125349
2-[4-(2-hydroxyphenoxy)pyrazol-1-yl]acetaldehyde
CID 117124893
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
2-(4-methylsulfanylpyrazol-1-yl)acetaldehyde
CID 151877902
1-ethyl-4-(3-ethylsulfonylpropoxy)pyrazole
CID 116804432
1-ethyl-4-pent-4-enoxypyrazole
CID 116804504
4-propoxy-1-propylpyrazole
CID 116805185
1-tert-butyl-4-ethoxypyrazole;ethane
CID 162757233
ethyl (E)-4-(1-ethylpyrazol-4-yl)oxybut-2-enoate
CID 116800100
4-ethoxy-N,N-dimethylpyrazole-1-sulfonamide
CID 170907700
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-ethoxypyrazol-1-yl)acetaldehyde (CID 117124915) is 2-(4-ethoxypyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-ethoxypyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-ethoxypyrazol-1-yl)acetaldehyde is CCOc1cnn(CC=O)c1.
What is the InChIKey of 2-(4-ethoxypyrazol-1-yl)acetaldehyde?
The InChIKey is CQQBLYRUTXPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-7-5-8-9(6-7)3-4-10/h4-6H,2-3H2,1H3.
What are the key properties of 2-(4-ethoxypyrazol-1-yl)acetaldehyde?
2-(4-ethoxypyrazol-1-yl)acetaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 117124915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).