3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide

C16H18N4O2 — CID 51600172

IUPAC3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESO=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H18N4O2/c21-15-7-5-12(18-15)6-8-16(22)19-13-3-1-4-14(11-13)20-10-2-9-17-20/h1-4,9-12H,5-8H2,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyAQNVQSUPMGXXAE-LBPRGKRZSA-N
MW298.35 g/mol
LogP1.87
Rot. Bonds5

About 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide

3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide (PubChem CID 51600172) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
PubChem CID51600172
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
SMILESO=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H18N4O2/c21-15-7-5-12(18-15)6-8-16(22)19-13-3-1-4-14(11-13)20-10-2-9-17-20/h1-4,9-12H,5-8H2,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyAQNVQSUPMGXXAE-LBPRGKRZSA-N
XLogP1.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600173
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 119708754
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
CID 92627494
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131903388
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 56786514
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide?
The IUPAC name of 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide (CID 51600172) is 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide is O=C(CC[C@@H]1CCC(=O)N1)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide?
The InChIKey is AQNVQSUPMGXXAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-7-5-12(18-15)6-8-16(22)19-13-3-1-4-14(11-13)20-10-2-9-17-20/h1-4,9-12H,5-8H2,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide?
3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide has a molecular weight of 298.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide is sourced from PubChem (CID 51600172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).