4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid

C10H15N3O5S — CID 66247834

IUPAC4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O5S/c1-2-13(9-6-18-5-8(9)10(14)15)19(16,17)7-3-11-12-4-7/h3-4,8-9H,2,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyXLALVZRADUVCGJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.48
Rot. Bonds5

About 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid

4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247834) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid
PubChem CID66247834
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O5S/c1-2-13(9-6-18-5-8(9)10(14)15)19(16,17)7-3-11-12-4-7/h3-4,8-9H,2,5-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyXLALVZRADUVCGJ-UHFFFAOYSA-N
XLogP-0.48
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid (CID 66247834) is 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is XLALVZRADUVCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-2-13(9-6-18-5-8(9)10(14)15)19(16,17)7-3-11-12-4-7/h3-4,8-9H,2,5-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1H-pyrazol-4-ylsulfonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).