(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

C20H18FN3O — CID 15870546

IUPAC(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-23(2)13-12-19(25)18-14-24(17-6-4-3-5-7-17)22-20(18)15-8-10-16(21)11-9-15/h3-14H,1-2H3/b13-12+
InChIKeyFSZOILDDJFRCEX-OUKQBFOZSA-N
MW335.38 g/mol
LogP3.94
Rot. Bonds5

About (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one (PubChem CID 15870546) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
PubChem CID15870546
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O/c1-23(2)13-12-19(25)18-14-24(17-6-4-3-5-7-17)22-20(18)15-8-10-16(21)11-9-15/h3-14H,1-2H3/b13-12+
InChIKeyFSZOILDDJFRCEX-OUKQBFOZSA-N
XLogP3.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.94
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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Related Compounds

3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
(Z)-1-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-3-(4-fluoroanilino)prop-2-en-1-one
CID 127049539
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-methoxyanilino)prop-2-en-1-one
CID 127050794
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
(2E)-2-(dimethylhydrazinylidene)-1-(1,3-diphenylpyrazol-4-yl)ethanone
CID 12027930
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
(2-amino-2-oxoethyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2580785
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2360671
1-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one
CID 2901779
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 26419045
3-(4-fluorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543095
3-(4-fluorophenyl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-phenylpyrazole-4-carboxamide
CID 16573857

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one (CID 15870546) is (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is CN(C)/C=C/C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
The InChIKey is FSZOILDDJFRCEX-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-23(2)13-12-19(25)18-14-24(17-6-4-3-5-7-17)22-20(18)15-8-10-16(21)11-9-15/h3-14H,1-2H3/b13-12+.
What are the key properties of (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one has a molecular weight of 335.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one is sourced from PubChem (CID 15870546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).