4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

C19H18FN3O2 — CID 110823611

IUPAC4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18FN3O2/c1-13-18(21-12-17(24)14-8-10-15(20)11-9-14)19(25)23(22(13)2)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3
InChIKeyFMXMLAHINMZIGP-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.92
Rot. Bonds5

About 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 110823611) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID110823611
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1c(NCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18FN3O2/c1-13-18(21-12-17(24)14-8-10-15(20)11-9-14)19(25)23(22(13)2)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3
InChIKeyFMXMLAHINMZIGP-UHFFFAOYSA-N
XLogP2.92
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 110823922
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-fluorophenyl)methyl]urea
CID 22430467
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methanesulfonic acid
CID 19145
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
4-[[2-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 110824890
1,5-dimethyl-2-phenyl-4-[2-(trifluoromethylsulfonyl)ethylamino]pyrazol-3-one
CID 4962939
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-fluorophenoxy)propanamide
CID 1045739
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,3-dimethylbutanamide
CID 8701756
N-[(E)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 6174338
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195948
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 4880607
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl hydrogen sulfite
CID 72714235

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 110823611) is 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1c(NCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is FMXMLAHINMZIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-18(21-12-17(24)14-8-10-15(20)11-9-14)19(25)23(22(13)2)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3.
What are the key properties of 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 339.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 110823611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).