N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide

C16H15N3O2 — CID 753274

IUPACN-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
SMILESO=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15(12-9-5-2-6-10-12)17-14-13(18-19-16(14)21)11-7-3-1-4-8-11/h1-10,13-14,18H,(H,17,20)(H,19,21)/t13-,14-/m0/s1
InChIKeyJOICTNRUICKYKF-KBPBESRZSA-N
MW281.31 g/mol
LogP1.16
Rot. Bonds3

About N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide

N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide (PubChem CID 753274) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
PubChem CID753274
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
SMILESO=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15N3O2/c20-15(12-9-5-2-6-10-12)17-14-13(18-19-16(14)21)11-7-3-1-4-8-11/h1-10,13-14,18H,(H,17,20)(H,19,21)/t13-,14-/m0/s1
InChIKeyJOICTNRUICKYKF-KBPBESRZSA-N
XLogP1.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 4879158
4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 126061360
4-chloro-N-[(3S,4S)-3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 126065368
N-[(3S,4R)-3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 889268
N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
CID 124664282
N-[(3R,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 40931927
4-chloro-N-[(3R,4S)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 126058670
N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]benzamide
CID 102525266
N-[(3S,4R)-2-oxo-4-phenylpyrrolidin-1-id-3-yl]benzamide;yttrium
CID 169319293
N-(2-hydroxycyclopropyl)benzamide
CID 175468011
N-[(1Z,4S,5R)-1-[(2-chlorophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide
CID 126066433
N-[(1Z,4S,5R)-1-[(4-bromophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide
CID 126065178

Frequently Asked Questions

What is the IUPAC name of N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
The IUPAC name of N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide (CID 753274) is N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide.
What is the SMILES notation for N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
The canonical SMILES for N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide is O=C(N[C@@H]1C(=O)NN[C@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
The InChIKey is JOICTNRUICKYKF-KBPBESRZSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15(12-9-5-2-6-10-12)17-14-13(18-19-16(14)21)11-7-3-1-4-8-11/h1-10,13-14,18H,(H,17,20)(H,19,21)/t13-,14-/m0/s1.
What are the key properties of N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide has a molecular weight of 281.31 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide is sourced from PubChem (CID 753274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).