N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

C22H34IN5 — CID 111723312

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1nc(C)cc1C)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C22H33N5.HI/c1-5-23-22(24-14-17(2)15-27-19(4)13-18(3)25-27)26-12-11-21(16-26)20-9-7-6-8-10-20;/h6-10,13,17,21H,5,11-12,14-16H2,1-4H3,(H,23,24);1H
InChIKeyVZSZWYZZCPISPP-UHFFFAOYSA-N
MW495.45 g/mol
LogP4.21
Rot. Bonds6

About N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide

N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111723312) has the molecular formula C22H34IN5 and a molecular weight of 495.45 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111723312
Molecular FormulaC22H34IN5
Molecular Weight495.45 g/mol
Exact Mass495.19
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1nc(C)cc1C)N1CCC(c2ccccc2)C1.I
InChIInChI=1S/C22H33N5.HI/c1-5-23-22(24-14-17(2)15-27-19(4)13-18(3)25-27)26-12-11-21(16-26)20-9-7-6-8-10-20;/h6-10,13,17,21H,5,11-12,14-16H2,1-4H3,(H,23,24);1H
InChIKeyVZSZWYZZCPISPP-UHFFFAOYSA-N
XLogP4.21
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738889
N-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N-ethyl-3-phenyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723550
N-ethyl-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724371
N-ethyl-3-phenyl-N'-(2-thiophen-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723334
N-ethyl-N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111993110
N-ethyl-3-phenyl-N'-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111722820
N-ethyl-N'-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723572
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723802
N'-[(4-cyanophenyl)methyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723386
N-ethyl-N'-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742443

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide (CID 111723312) is N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)Cn1nc(C)cc1C)N1CCC(c2ccccc2)C1.I.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is VZSZWYZZCPISPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5.HI/c1-5-23-22(24-14-17(2)15-27-19(4)13-18(3)25-27)26-12-11-21(16-26)20-9-7-6-8-10-20;/h6-10,13,17,21H,5,11-12,14-16H2,1-4H3,(H,23,24);1H.
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 495.45 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111723312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).