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

C17H17N3O3 — CID 126061360

IUPAC4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17N3O3/c1-23-13-9-7-12(8-10-13)16(21)18-15-14(19-20-17(15)22)11-5-3-2-4-6-11/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22)/t14-,15-/m0/s1
InChIKeyOSIVNDFHYFCOIS-GJZGRUSLSA-N
MW311.34 g/mol
LogP1.17
Rot. Bonds4

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

4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide (PubChem CID 126061360) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
PubChem CID126061360
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccccc2)cc1
InChIInChI=1S/C17H17N3O3/c1-23-13-9-7-12(8-10-13)16(21)18-15-14(19-20-17(15)22)11-5-3-2-4-6-11/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22)/t14-,15-/m0/s1
InChIKeyOSIVNDFHYFCOIS-GJZGRUSLSA-N
XLogP1.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
CID 124664282
4-chloro-N-[(3R,4S)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 126058670
N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 753274
N-[(3R,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 40931927
N-[(3R,4S)-3-(4,5-dimethoxy-2-nitrophenyl)-5-oxopyrazolidin-4-yl]-4-methoxybenzamide
CID 1110734
4-chloro-N-[(3S,4S)-3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 126065368
4-methoxy-N-[(1Z,4R,5R)-1-[(4-methoxyphenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide
CID 126062673
N-[(1Z,4R,5S)-1-[(4-bromophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]-4-methoxybenzamide
CID 126062931
4-methoxy-N-[(1Z,4R,5R)-1-[(4-methylphenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide
CID 126079126
N-[(1Z,4S,5S)-1-[(4-fluorophenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]-4-methoxybenzamide
CID 126062489
4-chloro-N-[(1Z,4R,5R)-1-[(4-methoxyphenyl)methylidene]-3-oxo-5-phenylpyrazolidin-1-ium-4-yl]benzamide
CID 126064862
N-[(3S,4R)-3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 889268

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide (CID 126061360) is 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide is COc1ccc(C(=O)N[C@@H]2C(=O)NN[C@H]2c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
The InChIKey is OSIVNDFHYFCOIS-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-13-9-7-12(8-10-13)16(21)18-15-14(19-20-17(15)22)11-5-3-2-4-6-11/h2-10,14-15,19H,1H3,(H,18,21)(H,20,22)/t14-,15-/m0/s1.
What are the key properties of 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide?
4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide has a molecular weight of 311.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide is sourced from PubChem (CID 126061360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).