[(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium

C10H16N5O2+ — CID 683536

IUPAC[(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\C=[N+](C)C)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H16N5O2/c1-13(2)6-8(7-14(3)4)10-9(15(16)17)5-11-12-10/h5-7H,1-4H3,(H,11,12)/q+1
InChIKeyOXVJPKAOZHUZST-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.56
Rot. Bonds4

About [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium

[(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium (PubChem CID 683536) has the molecular formula C10H16N5O2+ and a molecular weight of 238.27 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium
PubChem CID683536
Molecular FormulaC10H16N5O2+
Molecular Weight238.27 g/mol
Exact Mass238.13
IUPAC Name[(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\C=[N+](C)C)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C10H16N5O2/c1-13(2)6-8(7-14(3)4)10-9(15(16)17)5-11-12-10/h5-7H,1-4H3,(H,11,12)/q+1
InChIKeyOXVJPKAOZHUZST-UHFFFAOYSA-N
XLogP0.56
TPSA78.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium (CID 683536) is [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium is CN(C)/C=C(\C=[N+](C)C)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium?
The InChIKey is OXVJPKAOZHUZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N5O2/c1-13(2)6-8(7-14(3)4)10-9(15(16)17)5-11-12-10/h5-7H,1-4H3,(H,11,12)/q+1.
What are the key properties of [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium?
[(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium has a molecular weight of 238.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-(4-nitro-1H-pyrazol-5-yl)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 683536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).