1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine

C12H11F2N3 — CID 166905996

IUPAC1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine
SMILESC=Cc1cnn(C2=CC(=C)N(C(F)F)C=C2)c1
InChIInChI=1S/C12H11F2N3/c1-3-10-7-15-17(8-10)11-4-5-16(12(13)14)9(2)6-11/h3-8,12H,1-2H2
InChIKeyRISIZXYFAWNTAS-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.93
Rot. Bonds3

About 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine

1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine (PubChem CID 166905996) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine
PubChem CID166905996
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine
SMILESC=Cc1cnn(C2=CC(=C)N(C(F)F)C=C2)c1
InChIInChI=1S/C12H11F2N3/c1-3-10-7-15-17(8-10)11-4-5-16(12(13)14)9(2)6-11/h3-8,12H,1-2H2
InChIKeyRISIZXYFAWNTAS-UHFFFAOYSA-N
XLogP2.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine?
The IUPAC name of 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine (CID 166905996) is 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine.
What is the SMILES notation for 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine?
The canonical SMILES for 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine is C=Cc1cnn(C2=CC(=C)N(C(F)F)C=C2)c1.
What is the InChIKey of 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine?
The InChIKey is RISIZXYFAWNTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-3-10-7-15-17(8-10)11-4-5-16(12(13)14)9(2)6-11/h3-8,12H,1-2H2.
What are the key properties of 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine?
1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine has a molecular weight of 235.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(4-ethenylpyrazol-1-yl)-2-methylidenepyridine is sourced from PubChem (CID 166905996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).