[3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone

C24H22FN3O — CID 3365717

IUPAC[3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c1-27(2)21-14-10-18(11-15-21)23-16-22(17-6-4-3-5-7-17)26-28(23)24(29)19-8-12-20(25)13-9-19/h3-15,23H,16H2,1-2H3
InChIKeyJTMLTSHTXXMJDH-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.88
Rot. Bonds4

About [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone

[3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone (PubChem CID 3365717) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone
PubChem CID3365717
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name[3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O/c1-27(2)21-14-10-18(11-15-21)23-16-22(17-6-4-3-5-7-17)26-28(23)24(29)19-8-12-20(25)13-9-19/h3-15,23H,16H2,1-2H3
InChIKeyJTMLTSHTXXMJDH-UHFFFAOYSA-N
XLogP4.88
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
N'-[4-(diethylamino)benzylidene]benzohydrazide
CID 6870927
4-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
CID 10408752
2-Fluoro-N-[2-(1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-yl)-ethyl]-benzamide
CID 11795327
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
4-(4-Dimethylamino-benzylidene)-2-(3-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 5284927
2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(4-methylphenyl)acetamide
CID 600118
N-{4-[(4S)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}benzamide
CID 23647043
N-benzoyl-5-(-4'-nitrophenyl)-3-phenylpyrazoline (2j)
CID 71197998
4-[[3,4-difluoro-5-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 145960349
N'-[1-(4-aminophenyl)ethylidene]-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 9585520
3-(2-oxo-1-pyrrolidinyl)-N'-(1-phenylethylidene)benzohydrazide
CID 9590201

Frequently Asked Questions

What is the IUPAC name of [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone (CID 3365717) is [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone is CN(C)c1ccc(C2CC(c3ccccc3)=NN2C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is JTMLTSHTXXMJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-27(2)21-14-10-18(11-15-21)23-16-22(17-6-4-3-5-7-17)26-28(23)24(29)19-8-12-20(25)13-9-19/h3-15,23H,16H2,1-2H3.
What are the key properties of [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone?
[3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 387.46 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(dimethylamino)phenyl]-5-phenyl-3,4-dihydropyrazol-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 3365717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).