N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine

C6H9N3O — CID 106937175

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
SMILESC=Cn1cc(CNO)cn1
InChIInChI=1S/C6H9N3O/c1-2-9-5-6(3-7-9)4-8-10/h2-3,5,8,10H,1,4H2
InChIKeyXAYUKEAYFFFMDF-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.46
Rot. Bonds3

About N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine

N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine (PubChem CID 106937175) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
PubChem CID106937175
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
SMILESC=Cn1cc(CNO)cn1
InChIInChI=1S/C6H9N3O/c1-2-9-5-6(3-7-9)4-8-10/h2-3,5,8,10H,1,4H2
InChIKeyXAYUKEAYFFFMDF-UHFFFAOYSA-N
XLogP0.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.46
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

N-[(1-ethenylpyrazol-4-yl)methyl]-2,2,2-trifluoroethanamine
CID 106935124
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
N-[(1-ethenylpyrazol-4-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 106937158
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
CID 106937227
1-[[(1-ethenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 106936957
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
CID 106936687

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine (CID 106937175) is N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine is C=Cn1cc(CNO)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine?
The InChIKey is XAYUKEAYFFFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-9-5-6(3-7-9)4-8-10/h2-3,5,8,10H,1,4H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine?
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine has a molecular weight of 139.16 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 106937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).