4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid

C14H23N3O3 — CID 66245332

IUPAC4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1cn(C)nc1C)C1COCC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-5-17(13-8-20-7-12(13)14(18)19)10(3)11-6-16(4)15-9(11)2/h6,10,12-13H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyOSNFYRMYTOHLPC-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.21
Rot. Bonds5

About 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid

4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66245332) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
PubChem CID66245332
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(C)c1cn(C)nc1C)C1COCC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-5-17(13-8-20-7-12(13)14(18)19)10(3)11-6-16(4)15-9(11)2/h6,10,12-13H,5,7-8H2,1-4H3,(H,18,19)
InChIKeyOSNFYRMYTOHLPC-UHFFFAOYSA-N
XLogP1.21
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,4-dichlorophenyl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66247505
4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66246707
4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
CID 113487083
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
(3S,4S)-1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086418
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
CID 66246896
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66247039
4-[(1-methyl-4-nitropyrazol-3-yl)-propylamino]oxolane-3-carboxylic acid
CID 103079363
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid (CID 66245332) is 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid is CCN(C(C)c1cn(C)nc1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is OSNFYRMYTOHLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-17(13-8-20-7-12(13)14(18)19)10(3)11-6-16(4)15-9(11)2/h6,10,12-13H,5,7-8H2,1-4H3,(H,18,19).
What are the key properties of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid?
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).