5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide

C9H18N4O3S — CID 82459893

IUPAC5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1ncc(S(=O)(=O)NCCOC)c1N
InChIInChI=1S/C9H18N4O3S/c1-3-5-13-9(10)8(7-11-13)17(14,15)12-4-6-16-2/h7,12H,3-6,10H2,1-2H3
InChIKeyNBRCKBLEPGCJIR-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.20
Rot. Bonds7

About 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide

5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 82459893) has the molecular formula C9H18N4O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID82459893
Molecular FormulaC9H18N4O3S
Molecular Weight262.33 g/mol
Exact Mass262.11
IUPAC Name5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1ncc(S(=O)(=O)NCCOC)c1N
InChIInChI=1S/C9H18N4O3S/c1-3-5-13-9(10)8(7-11-13)17(14,15)12-4-6-16-2/h7,12H,3-6,10H2,1-2H3
InChIKeyNBRCKBLEPGCJIR-UHFFFAOYSA-N
XLogP-0.20
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
CID 82459881
5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
CID 82459873
N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681770
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 82459830
5-amino-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-sulfonamide
CID 82459894
2-amino-N-(2-methoxyethyl)-4,5-dimethylbenzenesulfonamide
CID 29054263
2-amino-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 62058435
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
5-amino-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 82459771
2-amino-N-(2-methoxyethyl)-1,3-thiazole-5-sulfonamide
CID 91812348
5-amino-N-(2-methoxyethyl)naphthalene-1-sulfonamide
CID 15680791
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide (CID 82459893) is 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide is CCCn1ncc(S(=O)(=O)NCCOC)c1N.
What is the InChIKey of 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is NBRCKBLEPGCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3S/c1-3-5-13-9(10)8(7-11-13)17(14,15)12-4-6-16-2/h7,12H,3-6,10H2,1-2H3.
What are the key properties of 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide?
5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).