1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one

C19H15FN2O2 — CID 123998210

IUPAC1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
SMILESCOc1ccc(-c2cc(C=CC(=O)c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C19H15FN2O2/c1-24-17-9-4-13(5-10-17)18-12-16(21-22-18)8-11-19(23)14-2-6-15(20)7-3-14/h2-12H,1H3,(H,21,22)
InChIKeyJOVKCNOHZHTTOH-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one

1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one (PubChem CID 123998210) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
PubChem CID123998210
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
SMILESCOc1ccc(-c2cc(C=CC(=O)c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C19H15FN2O2/c1-24-17-9-4-13(5-10-17)18-12-16(21-22-18)8-11-19(23)14-2-6-15(20)7-3-14/h2-12H,1H3,(H,21,22)
InChIKeyJOVKCNOHZHTTOH-UHFFFAOYSA-N
XLogP4.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-difluorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 123242993
(E)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(3-methyl-4-nitrophenyl)prop-2-en-1-one
CID 122414170
3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-phenylprop-2-en-1-one
CID 123800370
(E)-3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(4-fluoro-3-methylphenyl)prop-2-en-1-one
CID 122414135
ethane;(E)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 144798833
(E)-1-(2-fluoro-4-methoxyphenyl)-3-[3-(4-fluoro-3-methylphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 144798905
(1E,4E)-1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-3-one
CID 144798937
(E)-3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 8856238
[4-[(E)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]prop-2-enoyl]phenyl]chloranium
CID 144798856
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3,4-dimethylphenyl)prop-2-en-1-one
CID 123446408
(E)-3-[3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]-1H-pyrazol-5-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 122414074
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one (CID 123998210) is 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one is COc1ccc(-c2cc(C=CC(=O)c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one?
The InChIKey is JOVKCNOHZHTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-24-17-9-4-13(5-10-17)18-12-16(21-22-18)8-11-19(23)14-2-6-15(20)7-3-14/h2-12H,1H3,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one?
1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one has a molecular weight of 322.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one is sourced from PubChem (CID 123998210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).