N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide

C16H15N3O2 — CID 4247911

IUPACN-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
SMILESO=C(NC1C(=O)NNC1c1ccccc1)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)
InChIKeyJOICTNRUICKYKF-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.16
Rot. Bonds3

About N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide

N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide (PubChem CID 4247911) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
PubChem CID4247911
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide
SMILESO=C(NC1C(=O)NNC1c1ccccc1)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)
InChIKeyJOICTNRUICKYKF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
The IUPAC name of N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide (CID 4247911) is N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide.
What is the SMILES notation for N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
The canonical SMILES for N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide is O=C(NC1C(=O)NNC1c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
The InChIKey is JOICTNRUICKYKF-UHFFFAOYSA-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).
What are the key properties of N-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide?
N-(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-(3-oxo-5-phenylpyrazolidin-4-yl)benzamide is sourced from PubChem (CID 4247911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).