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

C11H16N2O4 — CID 22064747

IUPAC1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H16N2O4/c14-11(15)9-7-12-13(8-9)4-6-17-10-3-1-2-5-16-10/h7-8,10H,1-6H2,(H,14,15)
InChIKeyAGEVQEPMTOJFSD-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.12
Rot. Bonds5

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

1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid (PubChem CID 22064747) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
PubChem CID22064747
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(CCOC2CCCCO2)c1
InChIInChI=1S/C11H16N2O4/c14-11(15)9-7-12-13(8-9)4-6-17-10-3-1-2-5-16-10/h7-8,10H,1-6H2,(H,14,15)
InChIKeyAGEVQEPMTOJFSD-UHFFFAOYSA-N
XLogP1.12
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]borinic acid
CID 45382218
3-tert-butyl-1-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]pyrazol-5-amine
CID 86687174
6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443564
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
1-(oxan-2-yl)-3-[2-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]ethenyl]indazol-5-ol
CID 66831605
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid (CID 22064747) is 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(CCOC2CCCCO2)c1.
What is the InChIKey of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid?
The InChIKey is AGEVQEPMTOJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-11(15)9-7-12-13(8-9)4-6-17-10-3-1-2-5-16-10/h7-8,10H,1-6H2,(H,14,15).
What are the key properties of 1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid?
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 22064747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).