3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide

C10H19N3O3S — CID 104620677

IUPAC3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)CCCOC)n[nH]1
InChIInChI=1S/C10H19N3O3S/c1-3-5-9-8-10(12-11-9)13-17(14,15)7-4-6-16-2/h8H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyPCZDDALXODMQNN-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.14
Rot. Bonds8

About 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide

3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide (PubChem CID 104620677) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide
PubChem CID104620677
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)CCCOC)n[nH]1
InChIInChI=1S/C10H19N3O3S/c1-3-5-9-8-10(12-11-9)13-17(14,15)7-4-6-16-2/h8H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyPCZDDALXODMQNN-UHFFFAOYSA-N
XLogP1.14
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
1-(4-fluorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115698303
N-(5-propyl-1H-pyrazol-3-yl)propane-2-sulfonamide
CID 115698347
1-(4-aminophenyl)-N-(5-propyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104616865
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
CID 107652417
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)butane-1-sulfonamide
CID 116816196
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621211
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 112699565
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide (CID 104620677) is 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide is CCCc1cc(NS(=O)(=O)CCCOC)n[nH]1.
What is the InChIKey of 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
The InChIKey is PCZDDALXODMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-3-5-9-8-10(12-11-9)13-17(14,15)7-4-6-16-2/h8H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide?
3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 104620677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).