6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine

C11H11F2N5O3 — CID 168935773

IUPAC6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine
SMILESCOc1nnc(C(F)F)cc1C(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11F2N5O3/c1-6(17-5-7(4-14-17)18(19)20)8-3-9(10(12)13)15-16-11(8)21-2/h3-6,10H,1-2H3
InChIKeyFZSQCOWASXUDOI-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.14
Rot. Bonds5

About 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine

6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine (PubChem CID 168935773) has the molecular formula C11H11F2N5O3 and a molecular weight of 299.24 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine
PubChem CID168935773
Molecular FormulaC11H11F2N5O3
Molecular Weight299.24 g/mol
Exact Mass299.08
IUPAC Name6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine
SMILESCOc1nnc(C(F)F)cc1C(C)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C11H11F2N5O3/c1-6(17-5-7(4-14-17)18(19)20)8-3-9(10(12)13)15-16-11(8)21-2/h3-6,10H,1-2H3
InChIKeyFZSQCOWASXUDOI-UHFFFAOYSA-N
XLogP2.14
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
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-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine (CID 168935773) is 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine is COc1nnc(C(F)F)cc1C(C)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine?
The InChIKey is FZSQCOWASXUDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O3/c1-6(17-5-7(4-14-17)18(19)20)8-3-9(10(12)13)15-16-11(8)21-2/h3-6,10H,1-2H3.
What are the key properties of 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine?
6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine has a molecular weight of 299.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-4-[1-(4-nitropyrazol-1-yl)ethyl]pyridazine is sourced from PubChem (CID 168935773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).