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

C6H9N3O — CID 146155538

IUPAC(NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)nn1C
InChIInChI=1S/C6H9N3O/c1-5-3-6(4-7-10)8-9(5)2/h3-4,10H,1-2H3/b7-4+
InChIKeyXVKGTGTVJNGHDD-QPJJXVBHSA-N
MW139.16 g/mol
LogP0.54
Rot. Bonds1

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

(NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine (PubChem CID 146155538) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
PubChem CID146155538
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)nn1C
InChIInChI=1S/C6H9N3O/c1-5-3-6(4-7-10)8-9(5)2/h3-4,10H,1-2H3/b7-4+
InChIKeyXVKGTGTVJNGHDD-QPJJXVBHSA-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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Related Compounds

N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine
CID 144635454
(E)-2-alumanyl-3-(1,5-dimethylpyrazol-3-yl)prop-2-enoic acid
CID 163691116
N-[(1,5-dimethylpyrazol-4-yl)methylidene]hydroxylamine
CID 784975
(NE)-N-[1-(1,5-dimethylpyrazol-3-yl)ethylidene]hydroxylamine
CID 136983537
(NZ)-N-[(6-bromo-2-methylpyrimidin-4-yl)methylidene]hydroxylamine
CID 137229568
1,5-dimethyl-3-propan-2-ylpyrazole
CID 10796815
(NE)-N-[(6-bromo-4-methyl-2-pyridinyl)methylidene]hydroxylamine
CID 170326497
N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
CID 940393
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-methylhydroxylamine
CID 82595635
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine (CID 146155538) is (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine is Cc1cc(/C=N/O)nn1C.
What is the InChIKey of (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
The InChIKey is XVKGTGTVJNGHDD-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-3-6(4-7-10)8-9(5)2/h3-4,10H,1-2H3/b7-4+.
What are the key properties of (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine?
(NE)-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 (NE)-N-[(1,5-dimethylpyrazol-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 146155538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).