2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine

C16H18FN3 — CID 163461668

IUPAC2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine
SMILESC/C=C(Cn1nc(-c2ccccn2)cc1C)\C(F)=C/C
InChIInChI=1S/C16H18FN3/c1-4-13(14(17)5-2)11-20-12(3)10-16(19-20)15-8-6-7-9-18-15/h4-10H,11H2,1-3H3/b13-4-,14-5+
InChIKeyBPCBUILUEVFZSK-YCKHSYMTSA-N
MW271.34 g/mol
LogP4.07
Rot. Bonds4

About 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine

2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine (PubChem CID 163461668) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine
PubChem CID163461668
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine
SMILESC/C=C(Cn1nc(-c2ccccn2)cc1C)\C(F)=C/C
InChIInChI=1S/C16H18FN3/c1-4-13(14(17)5-2)11-20-12(3)10-16(19-20)15-8-6-7-9-18-15/h4-10H,11H2,1-3H3/b13-4-,14-5+
InChIKeyBPCBUILUEVFZSK-YCKHSYMTSA-N
XLogP4.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine (CID 163461668) is 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine is C/C=C(Cn1nc(-c2ccccn2)cc1C)\C(F)=C/C.
What is the InChIKey of 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine?
The InChIKey is BPCBUILUEVFZSK-YCKHSYMTSA-N. The full InChI is InChI=1S/C16H18FN3/c1-4-13(14(17)5-2)11-20-12(3)10-16(19-20)15-8-6-7-9-18-15/h4-10H,11H2,1-3H3/b13-4-,14-5+.
What are the key properties of 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine?
2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine has a molecular weight of 271.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]-5-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 163461668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).