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

C16H16N6O2 — CID 126842786

IUPAC6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)cc1
InChIInChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18)
InChIKeyQGGSPFQHKDHNHI-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.24
Rot. Bonds4

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

6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine (PubChem CID 126842786) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
PubChem CID126842786
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine
SMILESCc1ccc(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)cc1
InChIInChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18)
InChIKeyQGGSPFQHKDHNHI-UHFFFAOYSA-N
XLogP3.24
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.24
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-(4-methylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine (CID 126842786) is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine is Cc1ccc(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)cc1.
What is the InChIKey of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine?
The InChIKey is QGGSPFQHKDHNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18).
What are the key properties of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine?
6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methylphenyl)pyridazin-3-amine has a molecular weight of 324.34 g/mol, XLogP of 3.24, 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-(4-methylphenyl)pyridazin-3-amine is sourced from PubChem (CID 126842786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).