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

C12H24N4O3S — CID 51105058

IUPACN-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide
SMILESCOc1c(CNCCCN(C)S(C)(=O)=O)c(C)nn1C
InChIInChI=1S/C12H24N4O3S/c1-10-11(12(19-4)16(3)14-10)9-13-7-6-8-15(2)20(5,17)18/h13H,6-9H2,1-5H3
InChIKeyXHVRBEVQXRJKQX-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.11
Rot. Bonds8

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

N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide (PubChem CID 51105058) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide
PubChem CID51105058
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC NameN-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide
SMILESCOc1c(CNCCCN(C)S(C)(=O)=O)c(C)nn1C
InChIInChI=1S/C12H24N4O3S/c1-10-11(12(19-4)16(3)14-10)9-13-7-6-8-15(2)20(5,17)18/h13H,6-9H2,1-5H3
InChIKeyXHVRBEVQXRJKQX-UHFFFAOYSA-N
XLogP0.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.11
H-Bond Donors ≤ 51
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]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide (CID 51105058) is N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide is COc1c(CNCCCN(C)S(C)(=O)=O)c(C)nn1C.
What is the InChIKey of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide?
The InChIKey is XHVRBEVQXRJKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-10-11(12(19-4)16(3)14-10)9-13-7-6-8-15(2)20(5,17)18/h13H,6-9H2,1-5H3.
What are the key properties of N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide?
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 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]-N-methylmethanesulfonamide is sourced from PubChem (CID 51105058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).