N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide

C18H21N3O — CID 78419071

IUPACN-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H21N3O/c1-21(13-14-8-4-2-5-9-14)18(22)17-12-16(19-20-17)15-10-6-3-7-11-15/h2-11,16-17,19-20H,12-13H2,1H3
InChIKeyHBDAHSWDFOIMSE-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.25
Rot. Bonds4

About N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide

N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide (PubChem CID 78419071) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
PubChem CID78419071
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C18H21N3O/c1-21(13-14-8-4-2-5-9-14)18(22)17-12-16(19-20-17)15-10-6-3-7-11-15/h2-11,16-17,19-20H,12-13H2,1H3
InChIKeyHBDAHSWDFOIMSE-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
N-methyl-N-[(4-phenylphenyl)methyl]-5-propylpyrazolidine-3-carboxamide
CID 78081233
5-(4-hydroxyphenyl)-N-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134079824
N-benzyl-4-[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]-N-methylpiperazine-1-carboxamide
CID 52989524
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 133108255
N-[2-(dimethylamino)-2-oxoethyl]-5-phenylpyrazolidine-3-carboxamide
CID 78640428
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-benzyl-N-methyl-5-oxothiomorpholine-3-carboxamide
CID 110695444
(2R,4R)-N-benzyl-N-methyl-4-[2-(2-sulfanylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 70001902

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide (CID 78419071) is N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is HBDAHSWDFOIMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21(13-14-8-4-2-5-9-14)18(22)17-12-16(19-20-17)15-10-6-3-7-11-15/h2-11,16-17,19-20H,12-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide?
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 78419071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).