3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid

C9H13N3O5S — CID 66249899

IUPAC3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O5S/c1-9(8(13)14)5-17-4-7(9)12-18(15,16)6-2-10-11-3-6/h2-3,7,12H,4-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyCFOWFTABKMPIKT-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.82
Rot. Bonds4

About 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid

3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid (PubChem CID 66249899) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid
PubChem CID66249899
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O5S/c1-9(8(13)14)5-17-4-7(9)12-18(15,16)6-2-10-11-3-6/h2-3,7,12H,4-5H2,1H3,(H,10,11)(H,13,14)
InChIKeyCFOWFTABKMPIKT-UHFFFAOYSA-N
XLogP-0.82
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid (CID 66249899) is 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
The InChIKey is CFOWFTABKMPIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-9(8(13)14)5-17-4-7(9)12-18(15,16)6-2-10-11-3-6/h2-3,7,12H,4-5H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid?
3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66249899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).