1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

C25H19F4N3 — CID 126516208

IUPAC1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESC=C1C=CC(c2ccnn2-c2ccc(C(F)(F)F)cc2)=CN1/C(=C\C)c1ccc(F)cc1
InChIInChI=1S/C25H19F4N3/c1-3-23(18-6-10-21(26)11-7-18)31-16-19(5-4-17(31)2)24-14-15-30-32(24)22-12-8-20(9-13-22)25(27,28)29/h3-16H,2H2,1H3/b23-3-
InChIKeyYJDFDWVYJNUEPJ-LNQJRUQSSA-N
MW437.44 g/mol
LogP6.82
Rot. Bonds4

About 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine

1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (PubChem CID 126516208) has the molecular formula C25H19F4N3 and a molecular weight of 437.44 g/mol. Its IUPAC name is 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
PubChem CID126516208
Molecular FormulaC25H19F4N3
Molecular Weight437.44 g/mol
Exact Mass437.15
IUPAC Name1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
SMILESC=C1C=CC(c2ccnn2-c2ccc(C(F)(F)F)cc2)=CN1/C(=C\C)c1ccc(F)cc1
InChIInChI=1S/C25H19F4N3/c1-3-23(18-6-10-21(26)11-7-18)31-16-19(5-4-17(31)2)24-14-15-30-32(24)22-12-8-20(9-13-22)25(27,28)29/h3-16H,2H2,1H3/b23-3-
InChIKeyYJDFDWVYJNUEPJ-LNQJRUQSSA-N
XLogP6.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.44
LogP ≤ 56.82
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]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine (CID 126516208) is 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is C=C1C=CC(c2ccnn2-c2ccc(C(F)(F)F)cc2)=CN1/C(=C\C)c1ccc(F)cc1.
What is the InChIKey of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is YJDFDWVYJNUEPJ-LNQJRUQSSA-N. The full InChI is InChI=1S/C25H19F4N3/c1-3-23(18-6-10-21(26)11-7-18)31-16-19(5-4-17(31)2)24-14-15-30-32(24)22-12-8-20(9-13-22)25(27,28)29/h3-16H,2H2,1H3/b23-3-.
What are the key properties of 1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine?
1-[(Z)-1-(4-fluorophenyl)prop-1-enyl]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 437.44 g/mol, XLogP of 6.82, 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]-2-methylidene-5-[2-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 126516208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).