N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide

C11H22N4O3S — CID 51104849

IUPACN-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
SMILESCOc1c(CNCCCNS(C)(=O)=O)c(C)nn1C
InChIInChI=1S/C11H22N4O3S/c1-9-10(11(18-3)15(2)14-9)8-12-6-5-7-13-19(4,16)17/h12-13H,5-8H2,1-4H3
InChIKeyROFGXCZGEIYWDS-UHFFFAOYSA-N
MW290.39 g/mol
LogP-0.23
Rot. Bonds8

About N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide

N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide (PubChem CID 51104849) has the molecular formula C11H22N4O3S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
PubChem CID51104849
Molecular FormulaC11H22N4O3S
Molecular Weight290.39 g/mol
Exact Mass290.14
IUPAC NameN-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
SMILESCOc1c(CNCCCNS(C)(=O)=O)c(C)nn1C
InChIInChI=1S/C11H22N4O3S/c1-9-10(11(18-3)15(2)14-9)8-12-6-5-7-13-19(4,16)17/h12-13H,5-8H2,1-4H3
InChIKeyROFGXCZGEIYWDS-UHFFFAOYSA-N
XLogP-0.23
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 5-0.23
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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide (CID 51104849) is N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide is COc1c(CNCCCNS(C)(=O)=O)c(C)nn1C.
What is the InChIKey of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
The InChIKey is ROFGXCZGEIYWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S/c1-9-10(11(18-3)15(2)14-9)8-12-6-5-7-13-19(4,16)17/h12-13H,5-8H2,1-4H3.
What are the key properties of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide?
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide is sourced from PubChem (CID 51104849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).