N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

C20H19FN4O2 — CID 46432285

IUPACN-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)Cc2cccc(F)c2)c1)n1cccn1
InChIInChI=1S/C20H19FN4O2/c1-14(25-10-4-9-22-25)20(27)24-18-8-3-7-17(13-18)23-19(26)12-15-5-2-6-16(21)11-15/h2-11,13-14H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyZJSXWOASEBYHCW-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.40
Rot. Bonds6

About N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 46432285) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID46432285
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)Cc2cccc(F)c2)c1)n1cccn1
InChIInChI=1S/C20H19FN4O2/c1-14(25-10-4-9-22-25)20(27)24-18-8-3-7-17(13-18)23-19(26)12-15-5-2-6-16(21)11-15/h2-11,13-14H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyZJSXWOASEBYHCW-UHFFFAOYSA-N
XLogP3.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 34385299
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440831
N-[3-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068731
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
5-acetamido-2-fluoro-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 60567572
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide (CID 46432285) is N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(NC(=O)Cc2cccc(F)c2)c1)n1cccn1.
What is the InChIKey of N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is ZJSXWOASEBYHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14(25-10-4-9-22-25)20(27)24-18-8-3-7-17(13-18)23-19(26)12-15-5-2-6-16(21)11-15/h2-11,13-14H,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 366.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46432285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).