N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine

C7H13N3O — CID 122626197

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
SMILESCc1cc(C)n(CCNO)n1
InChIInChI=1S/C7H13N3O/c1-6-5-7(2)10(9-6)4-3-8-11/h5,8,11H,3-4H2,1-2H3
InChIKeyVJSQNRHACGYDBR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.48
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine (PubChem CID 122626197) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
PubChem CID122626197
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
SMILESCc1cc(C)n(CCNO)n1
InChIInChI=1S/C7H13N3O/c1-6-5-7(2)10(9-6)4-3-8-11/h5,8,11H,3-4H2,1-2H3
InChIKeyVJSQNRHACGYDBR-UHFFFAOYSA-N
XLogP0.48
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
CID 129359467
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1,3-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111278100
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
2-[2-(3,5-dimethylpyrazol-1-yl)ethylsulfanyl]ethanol
CID 12074287
1-ethyl-3,5-dimethylpyrazole
CID 565993
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine (CID 122626197) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine is Cc1cc(C)n(CCNO)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine?
The InChIKey is VJSQNRHACGYDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-5-7(2)10(9-6)4-3-8-11/h5,8,11H,3-4H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine has a molecular weight of 155.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine is sourced from PubChem (CID 122626197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).