1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde

C11H16N2O3 — CID 134593581

IUPAC1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H16N2O3/c14-9-10-7-12-13(8-10)4-6-16-11-3-1-2-5-15-11/h7-9,11H,1-6H2
InChIKeyTYSDMPSANIXMQU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.24
Rot. Bonds5

About 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde

1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde (PubChem CID 134593581) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde
PubChem CID134593581
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde
SMILESO=Cc1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H16N2O3/c14-9-10-7-12-13(8-10)4-6-16-11-3-1-2-5-15-11/h7-9,11H,1-6H2
InChIKeyTYSDMPSANIXMQU-UHFFFAOYSA-N
XLogP1.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
1-(oxan-4-yl)-1H-pyrazole-4-carbaldehyde
CID 63937510
4-methyl-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrazole
CID 99837453
1-(2,2-Diethoxyethyl)-1h-pyrazole-4-carboxamide
CID 129840582
Ethyl 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylate
CID 21027711
1-[2-(Oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-Methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
CID 70338595
4-Methyl-1-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-3-(tributylstannyl)-1H-pyrazole
CID 90177729
3-iodo-4-methyl-1-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-1H-pyrazole
CID 90177810
1-(2-Morpholin-4-ylethyl)pyrazole-4-carbaldehyde
CID 118380691
4-Methyl-1-[3-(oxan-2-yloxy)propyl]pyrazole
CID 130313449
Ethane;4-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrazole
CID 143578588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde (CID 134593581) is 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde is O=Cc1cnn(CCOC2CCCCO2)c1.
What is the InChIKey of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde?
The InChIKey is TYSDMPSANIXMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9-10-7-12-13(8-10)4-6-16-11-3-1-2-5-15-11/h7-9,11H,1-6H2.
What are the key properties of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde?
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde has a molecular weight of 224.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 134593581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).