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

C6H9N3O — CID 144635454

IUPACN-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCc1cc(C=NO)nn1C
InChIInChI=1S/C6H9N3O/c1-5-3-6(4-7-10)8-9(5)2/h3-4,10H,1-2H3
InChIKeyXVKGTGTVJNGHDD-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.54
Rot. Bonds1

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

N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine (PubChem CID 144635454) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
PubChem CID144635454
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCc1cc(C=NO)nn1C
InChIInChI=1S/C6H9N3O/c1-5-3-6(4-7-10)8-9(5)2/h3-4,10H,1-2H3
InChIKeyXVKGTGTVJNGHDD-UHFFFAOYSA-N
XLogP0.54
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.54
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 N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine (CID 144635454) is N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine is Cc1cc(C=NO)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
The InChIKey is XVKGTGTVJNGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-3-6(4-7-10)8-9(5)2/h3-4,10H,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine has a molecular weight of 139.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 144635454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).