5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

C9H13N3O5S — CID 93350476

IUPAC5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESC[C@@H]1COCCN1S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-6-5-17-3-2-12(6)18(15,16)8-7(9(13)14)4-10-11-8/h4,6H,2-3,5H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1
InChIKeyGWEBNXBTZPDMKO-ZCFIWIBFSA-N
MW275.29 g/mol
LogP-0.48
Rot. Bonds3

About 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid

5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (PubChem CID 93350476) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
PubChem CID93350476
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
SMILESC[C@@H]1COCCN1S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C9H13N3O5S/c1-6-5-17-3-2-12(6)18(15,16)8-7(9(13)14)4-10-11-8/h4,6H,2-3,5H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1
InChIKeyGWEBNXBTZPDMKO-ZCFIWIBFSA-N
XLogP-0.48
TPSA112.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
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 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid (CID 93350476) is 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is C[C@@H]1COCCN1S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is GWEBNXBTZPDMKO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-6-5-17-3-2-12(6)18(15,16)8-7(9(13)14)4-10-11-8/h4,6H,2-3,5H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1.
What are the key properties of 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid?
5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylmorpholin-4-yl]sulfonyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 93350476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).