N-propyl-1H-pyrazole-4-sulfonamide

C6H11N3O2S — CID 60916747

IUPACN-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C6H11N3O2S/c1-2-3-9-12(10,11)6-4-7-8-5-6/h4-5,9H,2-3H2,1H3,(H,7,8)
InChIKeySJHOUXMODTWZLI-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.10
Rot. Bonds4

About N-propyl-1H-pyrazole-4-sulfonamide

N-propyl-1H-pyrazole-4-sulfonamide (PubChem CID 60916747) has the molecular formula C6H11N3O2S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-propyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-propyl-1H-pyrazole-4-sulfonamide
PubChem CID60916747
Molecular FormulaC6H11N3O2S
Molecular Weight189.24 g/mol
Exact Mass189.06
IUPAC NameN-propyl-1H-pyrazole-4-sulfonamide
SMILESCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C6H11N3O2S/c1-2-3-9-12(10,11)6-4-7-8-5-6/h4-5,9H,2-3H2,1H3,(H,7,8)
InChIKeySJHOUXMODTWZLI-UHFFFAOYSA-N
XLogP0.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-propyl-1H-pyrazole-4-sulfonamide (CID 60916747) is N-propyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-propyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-propyl-1H-pyrazole-4-sulfonamide is CCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-propyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SJHOUXMODTWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S/c1-2-3-9-12(10,11)6-4-7-8-5-6/h4-5,9H,2-3H2,1H3,(H,7,8).
What are the key properties of N-propyl-1H-pyrazole-4-sulfonamide?
N-propyl-1H-pyrazole-4-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60916747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).