N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide

C22H28N4O — CID 75261446

IUPACN-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide
SMILESCC1C(C(=O)NCCCN2Cc3ccccc3C2)NNC1c1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-20(17-8-3-2-4-9-17)24-25-21(16)22(27)23-12-7-13-26-14-18-10-5-6-11-19(18)15-26/h2-6,8-11,16,20-21,24-25H,7,12-15H2,1H3,(H,23,27)
InChIKeyNPJBFXLEOAEPNM-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.36
Rot. Bonds6

About N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide (PubChem CID 75261446) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide
PubChem CID75261446
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide
SMILESCC1C(C(=O)NCCCN2Cc3ccccc3C2)NNC1c1ccccc1
InChIInChI=1S/C22H28N4O/c1-16-20(17-8-3-2-4-9-17)24-25-21(16)22(27)23-12-7-13-26-14-18-10-5-6-11-19(18)15-26/h2-6,8-11,16,20-21,24-25H,7,12-15H2,1H3,(H,23,27)
InChIKeyNPJBFXLEOAEPNM-UHFFFAOYSA-N
XLogP2.36
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-phenyl-N-(tetrazolidin-5-ylmethyl)pyrazolidine-3-carboxamide
CID 134127943
4-methyl-5-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazolidine-3-carboxamide
CID 75261509
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422
2,4-diphenyl-1-N,3-N-bis(3-pyrrolidin-1-ylpropyl)cyclobutane-1,3-dicarboxamide;iodomethane
CID 2849414
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 46963375
5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide (CID 75261446) is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide is CC1C(C(=O)NCCCN2Cc3ccccc3C2)NNC1c1ccccc1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is NPJBFXLEOAEPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-20(17-8-3-2-4-9-17)24-25-21(16)22(27)23-12-7-13-26-14-18-10-5-6-11-19(18)15-26/h2-6,8-11,16,20-21,24-25H,7,12-15H2,1H3,(H,23,27).
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide?
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-4-methyl-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 75261446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).