N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide

C20H25N3O2 — CID 85482644

IUPACN-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C20H25N3O2/c1-25-13-12-23(15-16-8-4-2-5-9-16)20(24)19-14-18(21-22-19)17-10-6-3-7-11-17/h2-11,18-19,21-22H,12-15H2,1H3
InChIKeyVCHGGSJZXAGYFS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds7

About N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide

N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide (PubChem CID 85482644) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
PubChem CID85482644
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C20H25N3O2/c1-25-13-12-23(15-16-8-4-2-5-9-16)20(24)19-14-18(21-22-19)17-10-6-3-7-11-17/h2-11,18-19,21-22H,12-15H2,1H3
InChIKeyVCHGGSJZXAGYFS-UHFFFAOYSA-N
XLogP2.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
CID 74629806
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74787202
N-benzyl-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 63007100
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
(2S,5R)-5-(aminomethyl)-N-benzyl-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 120783698
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
(E)-N-benzyl-3-cyclopropyl-N-(2-methoxyethyl)prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide (CID 85482644) is N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide is COCCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is VCHGGSJZXAGYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-13-12-23(15-16-8-4-2-5-9-16)20(24)19-14-18(21-22-19)17-10-6-3-7-11-17/h2-11,18-19,21-22H,12-15H2,1H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide?
N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 85482644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).