3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid

C8H12N4O5S — CID 64527694

IUPAC3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)N2CCOCC2)n[nH]1
InChIInChI=1S/C8H12N4O5S/c13-8(14)6-5-7(10-9-6)11-18(15,16)12-1-3-17-4-2-12/h5H,1-4H2,(H,13,14)(H2,9,10,11)
InChIKeyZGAVNTOIFMBDJS-UHFFFAOYSA-N
MW276.27 g/mol
LogP-0.90
Rot. Bonds4

About 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid

3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64527694) has the molecular formula C8H12N4O5S and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64527694
Molecular FormulaC8H12N4O5S
Molecular Weight276.27 g/mol
Exact Mass276.05
IUPAC Name3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)N2CCOCC2)n[nH]1
InChIInChI=1S/C8H12N4O5S/c13-8(14)6-5-7(10-9-6)11-18(15,16)12-1-3-17-4-2-12/h5H,1-4H2,(H,13,14)(H2,9,10,11)
InChIKeyZGAVNTOIFMBDJS-UHFFFAOYSA-N
XLogP-0.90
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528474
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
CID 64527301
3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527691
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
CID 63770992
N-(5-fluoro-2-hydroxyphenyl)morpholine-4-sulfonamide
CID 64794956
3-hydroxy-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 60827859
1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 104617476
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
3-fluoro-4-(morpholin-4-ylsulfonylamino)benzoic acid
CID 63189853
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
N-(1H-indazol-3-yl)morpholine-4-sulfonamide
CID 62686039

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid (CID 64527694) is 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)N2CCOCC2)n[nH]1.
What is the InChIKey of 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZGAVNTOIFMBDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5S/c13-8(14)6-5-7(10-9-6)11-18(15,16)12-1-3-17-4-2-12/h5H,1-4H2,(H,13,14)(H2,9,10,11).
What are the key properties of 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 276.27 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 3-(morpholin-4-ylsulfonylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).