N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide

C10H18N4O — CID 79579132

IUPACN-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cnn(C)c1C
InChIInChI=1S/C10H18N4O/c1-8-10(7-13-14(8)3)6-11-4-5-12-9(2)15/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyOXSAYFWEJMREIZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.05
Rot. Bonds5

About N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide

N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide (PubChem CID 79579132) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
PubChem CID79579132
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cnn(C)c1C
InChIInChI=1S/C10H18N4O/c1-8-10(7-13-14(8)3)6-11-4-5-12-9(2)15/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyOXSAYFWEJMREIZ-UHFFFAOYSA-N
XLogP-0.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]ethylurea
CID 83110053
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
2-acetamido-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propanoic acid
CID 106035702
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylethanesulfonamide
CID 102675063
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide (CID 79579132) is N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide is CC(=O)NCCNCc1cnn(C)c1C.
What is the InChIKey of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide?
The InChIKey is OXSAYFWEJMREIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-10(7-13-14(8)3)6-11-4-5-12-9(2)15/h7,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide?
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide has a molecular weight of 210.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide is sourced from PubChem (CID 79579132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).