1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine

C24H19F2N3 — CID 126515830

IUPAC1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine
SMILESC=C1C=CC(c2ccnn2-c2ccc(F)cc2)=CN1/C(=C\C)c1ccc(F)cc1
InChIInChI=1S/C24H19F2N3/c1-3-23(18-6-8-20(25)9-7-18)28-16-19(5-4-17(28)2)24-14-15-27-29(24)22-12-10-21(26)11-13-22/h3-16H,2H2,1H3/b23-3-
InChIKeyGUEMXGKLODVKEQ-LNQJRUQSSA-N
MW387.43 g/mol
LogP5.94
Rot. Bonds4

About 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine

1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine (PubChem CID 126515830) has the molecular formula C24H19F2N3 and a molecular weight of 387.43 g/mol. Its IUPAC name is 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine.

Molecular Properties

Compound Name1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine
PubChem CID126515830
Molecular FormulaC24H19F2N3
Molecular Weight387.43 g/mol
Exact Mass387.15
IUPAC Name1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine
SMILESC=C1C=CC(c2ccnn2-c2ccc(F)cc2)=CN1/C(=C\C)c1ccc(F)cc1
InChIInChI=1S/C24H19F2N3/c1-3-23(18-6-8-20(25)9-7-18)28-16-19(5-4-17(28)2)24-14-15-27-29(24)22-12-10-21(26)11-13-22/h3-16H,2H2,1H3/b23-3-
InChIKeyGUEMXGKLODVKEQ-LNQJRUQSSA-N
XLogP5.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.43
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine?
The IUPAC name of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine (CID 126515830) is 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine.
What is the SMILES notation for 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine?
The canonical SMILES for 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine is C=C1C=CC(c2ccnn2-c2ccc(F)cc2)=CN1/C(=C\C)c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine?
The InChIKey is GUEMXGKLODVKEQ-LNQJRUQSSA-N. The full InChI is InChI=1S/C24H19F2N3/c1-3-23(18-6-8-20(25)9-7-18)28-16-19(5-4-17(28)2)24-14-15-27-29(24)22-12-10-21(26)11-13-22/h3-16H,2H2,1H3/b23-3-.
What are the key properties of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine?
1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine has a molecular weight of 387.43 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-5-[2-(4-fluorophenyl)pyrazol-3-yl]-2-methylidenepyridine is sourced from PubChem (CID 126515830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).