N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide

C7H12N4O3S — CID 61150669

IUPACN-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H12N4O3S/c8-15(13,14)5-1-3-9-7(12)6-2-4-10-11-6/h2,4H,1,3,5H2,(H,9,12)(H,10,11)(H2,8,13,14)
InChIKeySHMNGPZBCHDOTL-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.18
Rot. Bonds5

About N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide

N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 61150669) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID61150669
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC NameN-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C7H12N4O3S/c8-15(13,14)5-1-3-9-7(12)6-2-4-10-11-6/h2,4H,1,3,5H2,(H,9,12)(H,10,11)(H2,8,13,14)
InChIKeySHMNGPZBCHDOTL-UHFFFAOYSA-N
XLogP-1.18
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide (CID 61150669) is N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide is NS(=O)(=O)CCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SHMNGPZBCHDOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c8-15(13,14)5-1-3-9-7(12)6-2-4-10-11-6/h2,4H,1,3,5H2,(H,9,12)(H,10,11)(H2,8,13,14).
What are the key properties of N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide?
N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 232.26 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 61150669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).