6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine

C15H14N6O2 — CID 126842785

IUPAC6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine
SMILESCc1nn(-c2ccc(Nc3ccccc3)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)
InChIKeyZPIQCEAMTWVHKX-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.93
Rot. Bonds4

About 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine

6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine (PubChem CID 126842785) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine
PubChem CID126842785
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine
SMILESCc1nn(-c2ccc(Nc3ccccc3)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)
InChIKeyZPIQCEAMTWVHKX-UHFFFAOYSA-N
XLogP2.93
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine (CID 126842785) is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine is Cc1nn(-c2ccc(Nc3ccccc3)nn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine?
The InChIKey is ZPIQCEAMTWVHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine?
6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine has a molecular weight of 310.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenylpyridazin-3-amine is sourced from PubChem (CID 126842785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).