4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide

C26H23FN4O2 — CID 46334959

IUPAC4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
SMILESCC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C26H23FN4O2/c1-16-5-4-6-22(15-16)29-26(33)20-9-13-23(14-10-20)31-25(28-18(3)32)24(17(2)30-31)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,28,32)(H,29,33)
InChIKeyZQEHGPRKNSKVFR-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.51
Rot. Bonds5

About 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide

4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide (PubChem CID 46334959) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
PubChem CID46334959
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide
SMILESCC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C26H23FN4O2/c1-16-5-4-6-22(15-16)29-26(33)20-9-13-23(14-10-20)31-25(28-18(3)32)24(17(2)30-31)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,28,32)(H,29,33)
InChIKeyZQEHGPRKNSKVFR-UHFFFAOYSA-N
XLogP5.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-phenylbenzamide
CID 46334913
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-pyridin-2-ylbenzamide
CID 46334892
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 20934582
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
N-[1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]acetamide
CID 46334948
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-propan-2-ylbenzamide
CID 46334908
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 46334859
4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide
CID 71542537
4-[5-acetamido-4-(4-chlorophenyl)-3-methylpyrazol-1-yl]-N-[(2S)-butan-2-yl]benzamide
CID 92873034
N-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-6-methyl-5-oxopyridazin-3-yl]-4-methoxybenzamide
CID 2030297

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide (CID 46334959) is 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide is CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide?
The InChIKey is ZQEHGPRKNSKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-16-5-4-6-22(15-16)29-26(33)20-9-13-23(14-10-20)31-25(28-18(3)32)24(17(2)30-31)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,28,32)(H,29,33).
What are the key properties of 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide?
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide has a molecular weight of 442.49 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 46334959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).