(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one

C23H16FN3O — CID 6271099

IUPAC(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C23H16FN3O/c24-20-11-8-17(9-12-20)22(28)13-10-19-16-27(21-6-2-1-3-7-21)26-23(19)18-5-4-14-25-15-18/h1-16H/b13-10+
InChIKeyJWBCXWIWJWMVEC-JLHYYAGUSA-N
MW369.40 g/mol
LogP4.97
Rot. Bonds5

About (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one

(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 6271099) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
PubChem CID6271099
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C23H16FN3O/c24-20-11-8-17(9-12-20)22(28)13-10-19-16-27(21-6-2-1-3-7-21)26-23(19)18-5-4-14-25-15-18/h1-16H/b13-10+
InChIKeyJWBCXWIWJWMVEC-JLHYYAGUSA-N
XLogP4.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one (CID 6271099) is (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is JWBCXWIWJWMVEC-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-20-11-8-17(9-12-20)22(28)13-10-19-16-27(21-6-2-1-3-7-21)26-23(19)18-5-4-14-25-15-18/h1-16H/b13-10+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 369.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 6271099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).