1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide

C9H16N4O3S — CID 61131505

IUPAC1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCS(N)(=O)=O)cnn1C
InChIInChI=1S/C9H16N4O3S/c1-7-8(6-12-13(7)2)9(14)11-4-3-5-17(10,15)16/h6H,3-5H2,1-2H3,(H,11,14)(H2,10,15,16)
InChIKeyVAPDKMJRTPPQDS-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.86
Rot. Bonds5

About 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide

1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide (PubChem CID 61131505) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
PubChem CID61131505
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCCS(N)(=O)=O)cnn1C
InChIInChI=1S/C9H16N4O3S/c1-7-8(6-12-13(7)2)9(14)11-4-3-5-17(10,15)16/h6H,3-5H2,1-2H3,(H,11,14)(H2,10,15,16)
InChIKeyVAPDKMJRTPPQDS-UHFFFAOYSA-N
XLogP-0.86
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide (CID 61131505) is 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCCS(N)(=O)=O)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
The InChIKey is VAPDKMJRTPPQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-7-8(6-12-13(7)2)9(14)11-4-3-5-17(10,15)16/h6H,3-5H2,1-2H3,(H,11,14)(H2,10,15,16).
What are the key properties of 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide?
1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(3-sulfamoylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 61131505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).