4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid

C9H13N3O5S — CID 66241459

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCc1[nH]ncc1S(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-5-8(2-10-11-5)18(15,16)12-7-4-17-3-6(7)9(13)14/h2,6-7,12H,3-4H2,1H3,(H,10,11)(H,13,14)
InChIKeyCOQANCCANPFFFZ-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.90
Rot. Bonds4

About 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid

4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66241459) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66241459
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
SMILESCc1[nH]ncc1S(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-5-8(2-10-11-5)18(15,16)12-7-4-17-3-6(7)9(13)14/h2,6-7,12H,3-4H2,1H3,(H,10,11)(H,13,14)
InChIKeyCOQANCCANPFFFZ-UHFFFAOYSA-N
XLogP-0.90
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 ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid (CID 66241459) is 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid is Cc1[nH]ncc1S(=O)(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is COQANCCANPFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-5-8(2-10-11-5)18(15,16)12-7-4-17-3-6(7)9(13)14/h2,6-7,12H,3-4H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).