5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid

C7H12N4O4S — CID 62274009

IUPAC5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESNCCCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C7H12N4O4S/c8-2-1-3-10-16(14,15)6-5(7(12)13)4-9-11-6/h4,10H,1-3,8H2,(H,9,11)(H,12,13)
InChIKeyJLKLKLMNUBSFIH-UHFFFAOYSA-N
MW248.26 g/mol
LogP-1.26
Rot. Bonds6

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

5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 62274009) has the molecular formula C7H12N4O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
PubChem CID62274009
Molecular FormulaC7H12N4O4S
Molecular Weight248.26 g/mol
Exact Mass248.06
IUPAC Name5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
SMILESNCCCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C7H12N4O4S/c8-2-1-3-10-16(14,15)6-5(7(12)13)4-9-11-6/h4,10H,1-3,8H2,(H,9,11)(H,12,13)
InChIKeyJLKLKLMNUBSFIH-UHFFFAOYSA-N
XLogP-1.26
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-cyanopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62665860
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106234889
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-[2-(cyclopenten-1-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106168086
5-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54885257
5-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 115454212
5-[(4-hydroxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 114331344
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid (CID 62274009) is 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid is NCCCNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is JLKLKLMNUBSFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4S/c8-2-1-3-10-16(14,15)6-5(7(12)13)4-9-11-6/h4,10H,1-3,8H2,(H,9,11)(H,12,13).
What are the key properties of 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid?
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of -1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62274009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).