4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide

C26H23FN4O2 — CID 44764394

IUPAC4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C26H23FN4O2/c1-18(32)29-25-17-24(20-7-3-2-4-8-20)30-31(25)23-12-10-21(11-13-23)26(33)28-15-14-19-6-5-9-22(27)16-19/h2-13,16-17H,14-15H2,1H3,(H,28,33)(H,29,32)
InChIKeyBMAQFOSWJXYWLT-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.61
Rot. Bonds7

About 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide

4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 44764394) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID44764394
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C26H23FN4O2/c1-18(32)29-25-17-24(20-7-3-2-4-8-20)30-31(25)23-12-10-21(11-13-23)26(33)28-15-14-19-6-5-9-22(27)16-19/h2-13,16-17H,14-15H2,1H3,(H,28,33)(H,29,32)
InChIKeyBMAQFOSWJXYWLT-UHFFFAOYSA-N
XLogP4.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
VU-1545
CID 11625520
N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
CID 155937487
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11625160

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 44764394) is 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide is CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is BMAQFOSWJXYWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-18(32)29-25-17-24(20-7-3-2-4-8-20)30-31(25)23-12-10-21(11-13-23)26(33)28-15-14-19-6-5-9-22(27)16-19/h2-13,16-17H,14-15H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide?
4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 44764394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).