(NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine

C7H11N3O — CID 6886279

IUPAC(NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCn1ncc(/C=N/O)c1C
InChIInChI=1S/C7H11N3O/c1-3-10-6(2)7(4-8-10)5-9-11/h4-5,11H,3H2,1-2H3/b9-5+
InChIKeyNGWDPILMOAAZCI-WEVVVXLNSA-N
MW153.19 g/mol
LogP1.02
Rot. Bonds2

About (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 6886279) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID6886279
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name(NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine
SMILESCCn1ncc(/C=N/O)c1C
InChIInChI=1S/C7H11N3O/c1-3-10-6(2)7(4-8-10)5-9-11/h4-5,11H,3H2,1-2H3/b9-5+
InChIKeyNGWDPILMOAAZCI-WEVVVXLNSA-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-5-methylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine (CID 6886279) is (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine is CCn1ncc(/C=N/O)c1C.
What is the InChIKey of (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is NGWDPILMOAAZCI-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-10-6(2)7(4-8-10)5-9-11/h4-5,11H,3H2,1-2H3/b9-5+.
What are the key properties of (NE)-N-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(1-ethyl-5-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-5-methylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6886279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).