2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide

C14H12F4N4O2 — CID 124609043

IUPAC2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
SMILESO=C(Nc1ccn[nH]1)[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C14H12F4N4O2/c15-12(16)14(17,18)13(24)21-10(8-4-2-1-3-5-8)11(23)20-9-6-7-19-22-9/h1-7,10,12H,(H,21,24)(H2,19,20,22,23)/t10-/m0/s1
InChIKeyMBTPKNXWPVBTBD-JTQLQIEISA-N
MW344.27 g/mol
LogP2.11
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide (PubChem CID 124609043) has the molecular formula C14H12F4N4O2 and a molecular weight of 344.27 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
PubChem CID124609043
Molecular FormulaC14H12F4N4O2
Molecular Weight344.27 g/mol
Exact Mass344.09
IUPAC Name2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide
SMILESO=C(Nc1ccn[nH]1)[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C14H12F4N4O2/c15-12(16)14(17,18)13(24)21-10(8-4-2-1-3-5-8)11(23)20-9-6-7-19-22-9/h1-7,10,12H,(H,21,24)(H2,19,20,22,23)/t10-/m0/s1
InChIKeyMBTPKNXWPVBTBD-JTQLQIEISA-N
XLogP2.11
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-phenylprop-2-ynamide
CID 122144672
(2R)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151754
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
(2S)-2-[[2-(2-methylphenyl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 95151753
2-amino-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]pentanamide
CID 119878696
(E)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75364810
2,5-dimethyl-N-[(1R)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 95282131
(2S,4S)-2-methyl-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]piperidine-4-carboxamide
CID 120646335
4-(2-chlorophenoxy)-N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]benzamide
CID 154851498
N-(2,2-dimethyl-1-phenylpropyl)-2,2,3,3-tetrafluoropropanamide
CID 103733000
2-phenyl-N-(1H-pyrazol-5-yl)-2-[(2-pyrrolidin-2-ylacetyl)amino]acetamide;dihydrochloride
CID 119878715
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119878694

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide (CID 124609043) is 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide is O=C(Nc1ccn[nH]1)[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide?
The InChIKey is MBTPKNXWPVBTBD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12F4N4O2/c15-12(16)14(17,18)13(24)21-10(8-4-2-1-3-5-8)11(23)20-9-6-7-19-22-9/h1-7,10,12H,(H,21,24)(H2,19,20,22,23)/t10-/m0/s1.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide has a molecular weight of 344.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]propanamide is sourced from PubChem (CID 124609043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).