5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C11H18N4O5S — CID 60912163

IUPAC5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H18N4O5S/c1-8(7-15-2-4-20-5-3-15)14-21(18,19)10-9(11(16)17)6-12-13-10/h6,8,14H,2-5,7H2,1H3,(H,12,13)(H,16,17)
InChIKeyHSZGFVREJUZJOB-UHFFFAOYSA-N
MW318.36 g/mol
LogP-0.89
Rot. Bonds6

About 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid

5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 60912163) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID60912163
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESCC(CN1CCOCC1)NS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C11H18N4O5S/c1-8(7-15-2-4-20-5-3-15)14-21(18,19)10-9(11(16)17)6-12-13-10/h6,8,14H,2-5,7H2,1H3,(H,12,13)(H,16,17)
InChIKeyHSZGFVREJUZJOB-UHFFFAOYSA-N
XLogP-0.89
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-methyl-3-(1-morpholin-4-ylpropan-2-ylsulfamoyl)benzoic acid
CID 136531093
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
2-methylsulfonyl-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 55896392
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54953963
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
N-[(2R)-1-morpholin-4-ylpropan-2-yl]naphthalene-1-sulfonamide
CID 97000893
2-amino-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151539
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 61060886

Frequently Asked Questions

What is the IUPAC name of 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 60912163) is 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is CC(CN1CCOCC1)NS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is HSZGFVREJUZJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-8(7-15-2-4-20-5-3-15)14-21(18,19)10-9(11(16)17)6-12-13-10/h6,8,14H,2-5,7H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60912163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).