dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium

C7H11N7O6 — CID 171665770

IUPACdimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium
SMILESCc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CON=[N+]([O-])N(C)C
InChIInChI=1S/C7H11N7O6/c1-5-6(12(15)16)7(13(17)18)8-11(5)4-20-9-14(19)10(2)3/h4H2,1-3H3
InChIKeyBVZPKPDZIFJYOH-UHFFFAOYSA-N
MW289.21 g/mol
LogP0.34
Rot. Bonds6

About dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium

dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium (PubChem CID 171665770) has the molecular formula C7H11N7O6 and a molecular weight of 289.21 g/mol. Its IUPAC name is dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium.

Molecular Properties

Compound Namedimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium
PubChem CID171665770
Molecular FormulaC7H11N7O6
Molecular Weight289.21 g/mol
Exact Mass289.08
IUPAC Namedimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium
SMILESCc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CON=[N+]([O-])N(C)C
InChIInChI=1S/C7H11N7O6/c1-5-6(12(15)16)7(13(17)18)8-11(5)4-20-9-14(19)10(2)3/h4H2,1-3H3
InChIKeyBVZPKPDZIFJYOH-UHFFFAOYSA-N
XLogP0.34
TPSA155.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
CID 2735324
1H-Pyrazol-3-amine, 1,5-dimethyl-4-nitro-
CID 3809288
2-(5-amino-3-methyl-4-nitro-1H-pyrazol-1-yl)ethan-1-ol
CID 61735054
ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate
CID 3104805
5-Hydrazino-1,3-dimethyl-4-nitro-1H-pyrazole
CID 3537257
1,3-Dimethyl-4-nitroso-1H-pyrazol-5-amine
CID 318024
5-Methyl-3,4-dinitro-1H-pyrazole-1-acetic acid
CID 3104804
1,5-dimethyl-3,4-dinitro-1H-pyrazole
CID 3777722
3,4-Dinitro-1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 154636533
3-Iodo-4-nitro-1,5-dimethylpyrazole
CID 15264268
1,3-Dimethyl-4-amino-5-nitropyrazole
CID 129788626
5-Methyl-3,4-dinitro-1-(trinitromethyl)-1h-pyrazole
CID 176490191

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium?
The IUPAC name of dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium (CID 171665770) is dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium.
What is the SMILES notation for dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium?
The canonical SMILES for dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium is Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CON=[N+]([O-])N(C)C.
What is the InChIKey of dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium?
The InChIKey is BVZPKPDZIFJYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7O6/c1-5-6(12(15)16)7(13(17)18)8-11(5)4-20-9-14(19)10(2)3/h4H2,1-3H3.
What are the key properties of dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium?
dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium has a molecular weight of 289.21 g/mol, XLogP of 0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-[(5-methyl-3,4-dinitropyrazol-1-yl)methoxyimino]-oxidoazanium is sourced from PubChem (CID 171665770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).