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

C18H13FN2O — CID 10803560

IUPAC(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1[nH]ncc1/C=C/c1ccccc1
InChIInChI=1S/C18H13FN2O/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/h1-12H,(H,20,21)/b7-6+
InChIKeyDPAZWULQPBGKPJ-VOTSOKGWSA-N
MW292.31 g/mol
LogP3.95
Rot. Bonds4

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

(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone (PubChem CID 10803560) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
PubChem CID10803560
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1[nH]ncc1/C=C/c1ccccc1
InChIInChI=1S/C18H13FN2O/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/h1-12H,(H,20,21)/b7-6+
InChIKeyDPAZWULQPBGKPJ-VOTSOKGWSA-N
XLogP3.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone (CID 10803560) is (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone is O=C(c1ccc(F)cc1)c1[nH]ncc1/C=C/c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
The InChIKey is DPAZWULQPBGKPJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H13FN2O/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/h1-12H,(H,20,21)/b7-6+.
What are the key properties of (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone?
(4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone has a molecular weight of 292.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 10803560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).