5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine

C17H18FN3 — CID 25205206

IUPAC5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2[nH]ncc2/C=C/c2cccc(F)c2)C1
InChIInChI=1S/C17H18FN3/c1-21-9-3-5-15(12-21)17-14(11-19-20-17)8-7-13-4-2-6-16(18)10-13/h2,4-8,10-11H,3,9,12H2,1H3,(H,19,20)/b8-7+
InChIKeyZPUXSQGSGMDKMS-BQYQJAHWSA-N
MW283.35 g/mol
LogP3.44
Rot. Bonds3

About 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine

5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 25205206) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID25205206
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2[nH]ncc2/C=C/c2cccc(F)c2)C1
InChIInChI=1S/C17H18FN3/c1-21-9-3-5-15(12-21)17-14(11-19-20-17)8-7-13-4-2-6-16(18)10-13/h2,4-8,10-11H,3,9,12H2,1H3,(H,19,20)/b8-7+
InChIKeyZPUXSQGSGMDKMS-BQYQJAHWSA-N
XLogP3.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine (CID 25205206) is 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(c2[nH]ncc2/C=C/c2cccc(F)c2)C1.
What is the InChIKey of 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZPUXSQGSGMDKMS-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18FN3/c1-21-9-3-5-15(12-21)17-14(11-19-20-17)8-7-13-4-2-6-16(18)10-13/h2,4-8,10-11H,3,9,12H2,1H3,(H,19,20)/b8-7+.
What are the key properties of 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine?
5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 283.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-5-yl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 25205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).