[(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene

C18H17F2N7O — CID 166966259

IUPAC[(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene
SMILES[H]/N=N/C(=C/COc1ccc(-c2cn(C)nc2C)nn1)c1ccc(C(F)F)cn1
InChIInChI=1S/C18H17F2N7O/c1-11-13(10-27(2)26-11)14-5-6-17(25-24-14)28-8-7-16(23-21)15-4-3-12(9-22-15)18(19)20/h3-7,9-10,18,21H,8H2,1-2H3/b16-7+,23-21+
InChIKeyHUBZESSLVRMTSH-UVCGROLCSA-N
MW385.38 g/mol
LogP3.97
Rot. Bonds7

About [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene

[(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene (PubChem CID 166966259) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene.

Molecular Properties

Compound Name[(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene
PubChem CID166966259
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name[(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene
SMILES[H]/N=N/C(=C/COc1ccc(-c2cn(C)nc2C)nn1)c1ccc(C(F)F)cn1
InChIInChI=1S/C18H17F2N7O/c1-11-13(10-27(2)26-11)14-5-6-17(25-24-14)28-8-7-16(23-21)15-4-3-12(9-22-15)18(19)20/h3-7,9-10,18,21H,8H2,1-2H3/b16-7+,23-21+
InChIKeyHUBZESSLVRMTSH-UVCGROLCSA-N
XLogP3.97
TPSA101.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene?
The IUPAC name of [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene (CID 166966259) is [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene.
What is the SMILES notation for [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene?
The canonical SMILES for [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene is [H]/N=N/C(=C/COc1ccc(-c2cn(C)nc2C)nn1)c1ccc(C(F)F)cn1.
What is the InChIKey of [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene?
The InChIKey is HUBZESSLVRMTSH-UVCGROLCSA-N. The full InChI is InChI=1S/C18H17F2N7O/c1-11-13(10-27(2)26-11)14-5-6-17(25-24-14)28-8-7-16(23-21)15-4-3-12(9-22-15)18(19)20/h3-7,9-10,18,21H,8H2,1-2H3/b16-7+,23-21+.
What are the key properties of [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene?
[(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene has a molecular weight of 385.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[5-(difluoromethyl)-2-pyridinyl]-3-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]oxyprop-1-enyl]diazene is sourced from PubChem (CID 166966259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).