(NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine

C7H11N3O — CID 6885154

IUPAC(NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCn1cc(/C=N/O)c(C)n1
InChIInChI=1S/C7H11N3O/c1-3-10-5-7(4-8-11)6(2)9-10/h4-5,11H,3H2,1-2H3/b8-4+
InChIKeyHVJYOIRAMKJIPW-XBXARRHUSA-N
MW153.19 g/mol
LogP1.02
Rot. Bonds2

About (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 6885154) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID6885154
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCn1cc(/C=N/O)c(C)n1
InChIInChI=1S/C7H11N3O/c1-3-10-5-7(4-8-11)6(2)9-10/h4-5,11H,3H2,1-2H3/b8-4+
InChIKeyHVJYOIRAMKJIPW-XBXARRHUSA-N
XLogP1.02
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine (CID 6885154) is (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine is CCn1cc(/C=N/O)c(C)n1.
What is the InChIKey of (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is HVJYOIRAMKJIPW-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-10-5-7(4-8-11)6(2)9-10/h4-5,11H,3H2,1-2H3/b8-4+.
What are the key properties of (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 153.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-ethyl-3-methylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6885154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).