N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C20H29N5O — CID 111742755

IUPACN-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCOc1ccccc1C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C20H29N5O/c1-4-21-20(22-10-12-26-19-8-6-5-7-16(19)2)25-11-9-17(15-25)18-13-23-24(3)14-18/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,21,22)
InChIKeyVROXBUOHPRKVEN-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111742755) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111742755
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCOc1ccccc1C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C20H29N5O/c1-4-21-20(22-10-12-26-19-8-6-5-7-16(19)2)25-11-9-17(15-25)18-13-23-24(3)14-18/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,21,22)
InChIKeyVROXBUOHPRKVEN-UHFFFAOYSA-N
XLogP2.56
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(2-naphthalen-1-yloxyethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741586
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-1-carboximidamide
CID 111741192
N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742872
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111742121
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111743131
N-ethyl-N'-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741654
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741568
N'-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742044
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-prop-2-enylpyrrolidine-1-carboximidamide
CID 111740902
N-ethyl-N'-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742443
N-ethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742108
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(2-sulfamoylethyl)pyrrolidine-1-carboximidamide
CID 111743125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111742755) is N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCOc1ccccc1C)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is VROXBUOHPRKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-21-20(22-10-12-26-19-8-6-5-7-16(19)2)25-11-9-17(15-25)18-13-23-24(3)14-18/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,21,22).
What are the key properties of N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 355.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methylphenoxy)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111742755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).