3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium

C10H20N5O2+ — CID 7188989

IUPAC3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium
SMILESCc1nn(C)c(NCCC[NH+](C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-8-9(15(16)17)10(14(4)12-8)11-6-5-7-13(2)3/h11H,5-7H2,1-4H3/p+1
InChIKeyIVPXTFLABZAQBY-UHFFFAOYSA-O
MW242.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium

3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium (PubChem CID 7188989) has the molecular formula C10H20N5O2+ and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium
PubChem CID7188989
Molecular FormulaC10H20N5O2+
Molecular Weight242.30 g/mol
Exact Mass242.16
IUPAC Name3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium
SMILESCc1nn(C)c(NCCC[NH+](C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H19N5O2/c1-8-9(15(16)17)10(14(4)12-8)11-6-5-7-13(2)3/h11H,5-7H2,1-4H3/p+1
InChIKeyIVPXTFLABZAQBY-UHFFFAOYSA-O
XLogP-0.42
TPSA77.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium?
The IUPAC name of 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium (CID 7188989) is 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium?
The canonical SMILES for 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium is Cc1nn(C)c(NCCC[NH+](C)C)c1[N+](=O)[O-].
What is the InChIKey of 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium?
The InChIKey is IVPXTFLABZAQBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19N5O2/c1-8-9(15(16)17)10(14(4)12-8)11-6-5-7-13(2)3/h11H,5-7H2,1-4H3/p+1.
What are the key properties of 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium?
3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium has a molecular weight of 242.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]propyl-dimethylazanium is sourced from PubChem (CID 7188989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).