5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid

C13H19N3O4 — CID 102688886

IUPAC5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H19N3O4/c1-3-9-8(7-16(2)15-9)6-14-12(17)10-4-5-11(20-10)13(18)19/h7,10-11H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNXQBEPWIXZSMHB-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.23
Rot. Bonds5

About 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688886) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688886
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C13H19N3O4/c1-3-9-8(7-16(2)15-9)6-14-12(17)10-4-5-11(20-10)13(18)19/h7,10-11H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyNXQBEPWIXZSMHB-UHFFFAOYSA-N
XLogP0.23
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115886751
3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 115989215
1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 115991089
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 115989866
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437463
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 112669300

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102688886) is 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid is CCc1nn(C)cc1CNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is NXQBEPWIXZSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-9-8(7-16(2)15-9)6-14-12(17)10-4-5-11(20-10)13(18)19/h7,10-11H,3-6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).