N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine

C10H19N3O2S — CID 106723723

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCNCc1ccnn1C
InChIInChI=1S/C10H19N3O2S/c1-3-7-16(14,15)8-6-11-9-10-4-5-12-13(10)2/h4-5,11H,3,6-9H2,1-2H3
InChIKeyBVRZABZDJXBARC-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.33
Rot. Bonds7

About N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine

N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine (PubChem CID 106723723) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
PubChem CID106723723
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
SMILESCCCS(=O)(=O)CCNCc1ccnn1C
InChIInChI=1S/C10H19N3O2S/c1-3-7-16(14,15)8-6-11-9-10-4-5-12-13(10)2/h4-5,11H,3,6-9H2,1-2H3
InChIKeyBVRZABZDJXBARC-UHFFFAOYSA-N
XLogP0.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.33
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

N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
4-[(2-methylpyrazol-3-yl)methylamino]butanamide
CID 60863582
[2-(2-propylsulfonylethyl)pyrazol-3-yl]methanamine
CID 106731927
N-[(2-methylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923033
N-[(5-bromothiophen-2-yl)methyl]-2-propylsulfonylethanamine
CID 106723329
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine (CID 106723723) is N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine is CCCS(=O)(=O)CCNCc1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine?
The InChIKey is BVRZABZDJXBARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-7-16(14,15)8-6-11-9-10-4-5-12-13(10)2/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine is sourced from PubChem (CID 106723723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).