O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine

C5H9N3O — CID 79423032

IUPACO-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
SMILESCn1cc(CON)cn1
InChIInChI=1S/C5H9N3O/c1-8-3-5(2-7-8)4-9-6/h2-3H,4,6H2,1H3
InChIKeyLTXIZNAQCFWXJE-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.19
Rot. Bonds2

About O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine

O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine (PubChem CID 79423032) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
PubChem CID79423032
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameO-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
SMILESCn1cc(CON)cn1
InChIInChI=1S/C5H9N3O/c1-8-3-5(2-7-8)4-9-6/h2-3H,4,6H2,1H3
InChIKeyLTXIZNAQCFWXJE-UHFFFAOYSA-N
XLogP-0.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-1-methylpyrazole
CID 143829284
[3,5-dimethyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28933161
[1-[(1-methylpyrazol-4-yl)methoxy]cycloheptyl]methanamine
CID 65051805
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63061350
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19627126

Frequently Asked Questions

What is the IUPAC name of O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine (CID 79423032) is O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine is Cn1cc(CON)cn1.
What is the InChIKey of O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine?
The InChIKey is LTXIZNAQCFWXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-3-5(2-7-8)4-9-6/h2-3H,4,6H2,1H3.
What are the key properties of O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine?
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine has a molecular weight of 127.15 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 79423032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).