N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide

C18H19N3O3 — CID 124664282

IUPACN-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
SMILESCOc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-11-3-5-13(6-4-11)17(22)19-16-15(20-21-18(16)23)12-7-9-14(24-2)10-8-12/h3-10,15-16,20H,1-2H3,(H,19,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyOMVHALIIOIIPHO-JKSUJKDBSA-N
MW325.37 g/mol
LogP1.48
Rot. Bonds4

About N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide

N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide (PubChem CID 124664282) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
PubChem CID124664282
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
SMILESCOc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-11-3-5-13(6-4-11)17(22)19-16-15(20-21-18(16)23)12-7-9-14(24-2)10-8-12/h3-10,15-16,20H,1-2H3,(H,19,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyOMVHALIIOIIPHO-JKSUJKDBSA-N
XLogP1.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(3R,4S)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 126058670
4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 126061360
N-[(3R,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 40931927
4-chloro-N-[(3S,4S)-3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 126065368
N-[3-(4-methylphenyl)-5-oxopyrazolidin-4-yl]benzamide
CID 4879158
N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 753274
N-[(3R,4S)-3-(4,5-dimethoxy-2-nitrophenyl)-5-oxopyrazolidin-4-yl]-4-methoxybenzamide
CID 1110734
N-[(1Z,4R,5R)-1-[(4-methoxyphenyl)methylidene]-5-(4-methylphenyl)-3-oxopyrazolidin-1-ium-4-yl]-4-methylbenzamide
CID 126061162
N-[(3S,4R)-3-(4-chlorophenyl)-5-oxopyrazolidin-4-yl]-3-methylbenzamide
CID 889268
N-[(1Z,4R,5S)-1-benzylidene-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-4-yl]-4-methylbenzamide
CID 126066828
N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide
CID 68581834
4-fluoro-N-[(1Z,4R,5R)-1-[(4-methoxyphenyl)methylidene]-5-(4-methylphenyl)-3-oxopyrazolidin-1-ium-4-yl]benzamide
CID 126062365

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide (CID 124664282) is N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide is COc1ccc([C@@H]2NNC(=O)[C@@H]2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide?
The InChIKey is OMVHALIIOIIPHO-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-3-5-13(6-4-11)17(22)19-16-15(20-21-18(16)23)12-7-9-14(24-2)10-8-12/h3-10,15-16,20H,1-2H3,(H,19,22)(H,21,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide?
N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 124664282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).