(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone

C18H15FN2O — CID 10517876

IUPAC(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESO=C(C1=NNCC1/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O/c19-16-10-8-14(9-11-16)18(22)17-15(12-20-21-17)7-6-13-4-2-1-3-5-13/h1-11,15,20H,12H2/b7-6+
InChIKeyBUTDINUQXQREKD-VOTSOKGWSA-N
MW294.33 g/mol
LogP3.30
Rot. Bonds4

About (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone

(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (PubChem CID 10517876) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
PubChem CID10517876
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone
SMILESO=C(C1=NNCC1/C=C/c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O/c19-16-10-8-14(9-11-16)18(22)17-15(12-20-21-17)7-6-13-4-2-1-3-5-13/h1-11,15,20H,12H2/b7-6+
InChIKeyBUTDINUQXQREKD-VOTSOKGWSA-N
XLogP3.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone (CID 10517876) is (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is O=C(C1=NNCC1/C=C/c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
The InChIKey is BUTDINUQXQREKD-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-16-10-8-14(9-11-16)18(22)17-15(12-20-21-17)7-6-13-4-2-1-3-5-13/h1-11,15,20H,12H2/b7-6+.
What are the key properties of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone?
(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone has a molecular weight of 294.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-4,5-dihydro-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 10517876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).