N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide

C26H23FN4O2 — CID 42732968

IUPACN-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CNC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C26H23FN4O2/c1-17-8-13-23(18(2)14-17)31-24(15-22(30-31)19-6-4-3-5-7-19)29-25(32)16-28-26(33)20-9-11-21(27)12-10-20/h3-15H,16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyIQULKJVFNWPYFP-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.66
Rot. Bonds6

About N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 42732968) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID42732968
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC NameN-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CNC(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C26H23FN4O2/c1-17-8-13-23(18(2)14-17)31-24(15-22(30-31)19-6-4-3-5-7-19)29-25(32)16-28-26(33)20-9-11-21(27)12-10-20/h3-15H,16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyIQULKJVFNWPYFP-UHFFFAOYSA-N
XLogP4.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 42732971
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42732982
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 42730554
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide
CID 1062073
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbutanamide
CID 42733696
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42731321
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3661640
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5176068
2-[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]-N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3965940

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide (CID 42732968) is N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CNC(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is IQULKJVFNWPYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-17-8-13-23(18(2)14-17)31-24(15-22(30-31)19-6-4-3-5-7-19)29-25(32)16-28-26(33)20-9-11-21(27)12-10-20/h3-15H,16H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 442.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 42732968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).