N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide

C12H24N4O2S — CID 106336236

IUPACN-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide
SMILESCCc1cc(CNCCCNS(C)(=O)=O)n(CC)n1
InChIInChI=1S/C12H24N4O2S/c1-4-11-9-12(16(5-2)15-11)10-13-7-6-8-14-19(3,17)18/h9,13-14H,4-8,10H2,1-3H3
InChIKeyRUZIAHCENAEWQU-UHFFFAOYSA-N
MW288.42 g/mol
LogP0.49
Rot. Bonds9

About N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide

N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide (PubChem CID 106336236) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide
PubChem CID106336236
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC NameN-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide
SMILESCCc1cc(CNCCCNS(C)(=O)=O)n(CC)n1
InChIInChI=1S/C12H24N4O2S/c1-4-11-9-12(16(5-2)15-11)10-13-7-6-8-14-19(3,17)18/h9,13-14H,4-8,10H2,1-3H3
InChIKeyRUZIAHCENAEWQU-UHFFFAOYSA-N
XLogP0.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 50.49
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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Related Compounds

N-[(1,3-diethylpyrazol-5-yl)methyl]-3-iodopropan-1-amine
CID 114503610
4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]butan-1-amine
CID 106844918
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
CID 104878529
N-[(1,3-diethylpyrazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 106427466
2-[2-[(1,3-diethylpyrazol-5-yl)methylamino]ethoxy]acetamide
CID 106237704
N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
CID 114108034
5-(1,3-diethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
CID 79591052
N-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethyl]methanesulfonamide
CID 64801421
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 105001567
2-[1-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756258
1-(1,3-diethylpyrazol-5-yl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105001704

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide (CID 106336236) is N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide is CCc1cc(CNCCCNS(C)(=O)=O)n(CC)n1.
What is the InChIKey of N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is RUZIAHCENAEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-4-11-9-12(16(5-2)15-11)10-13-7-6-8-14-19(3,17)18/h9,13-14H,4-8,10H2,1-3H3.
What are the key properties of N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 288.42 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-diethylpyrazol-5-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 106336236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).