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

C11H18N4O5S — CID 60912033

IUPAC5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H18N4O5S/c16-11(17)9-8-12-14-10(9)21(18,19)13-2-1-3-15-4-6-20-7-5-15/h8,13H,1-7H2,(H,12,14)(H,16,17)
InChIKeyIOJRVVZWWIIBFL-UHFFFAOYSA-N
MW318.36 g/mol
LogP-0.89
Rot. Bonds7

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

5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 60912033) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID60912033
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H18N4O5S/c16-11(17)9-8-12-14-10(9)21(18,19)13-2-1-3-15-4-6-20-7-5-15/h8,13H,1-7H2,(H,12,14)(H,16,17)
InChIKeyIOJRVVZWWIIBFL-UHFFFAOYSA-N
XLogP-0.89
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912163
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 103004721
4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43348231
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
5-[(2-oxo-2-piperidin-1-ylethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115596223
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
5-(1,4-oxazepan-4-ylsulfonyl)-1H-pyrazole-4-carboxylic acid
CID 62988685
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 60912033) is 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCCCN1CCOCC1.
What is the InChIKey of 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is IOJRVVZWWIIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c16-11(17)9-8-12-14-10(9)21(18,19)13-2-1-3-15-4-6-20-7-5-15/h8,13H,1-7H2,(H,12,14)(H,16,17).
What are the key properties of 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of -0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60912033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).