N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine

C10H19N3O2S — CID 103851543

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCNCc1cnn(C)c1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)6-5-11-7-10-8-12-13(3)9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyNMDKIOBDGSDQRO-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.25
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine (PubChem CID 103851543) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
PubChem CID103851543
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
SMILESCCS(=O)(=O)CCNCc1cnn(C)c1C
InChIInChI=1S/C10H19N3O2S/c1-4-16(14,15)6-5-11-7-10-8-12-13(3)9(10)2/h8,11H,4-7H2,1-3H3
InChIKeyNMDKIOBDGSDQRO-UHFFFAOYSA-N
XLogP0.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103851922
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
N'-butan-2-yl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 103851529
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115767982

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine (CID 103851543) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine is CCS(=O)(=O)CCNCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine?
The InChIKey is NMDKIOBDGSDQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-16(14,15)6-5-11-7-10-8-12-13(3)9(10)2/h8,11H,4-7H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine is sourced from PubChem (CID 103851543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).