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

C14H25N5O — CID 111997311

IUPACN-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCO)N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C14H25N5O/c1-3-15-14(16-5-7-20)19-6-4-12(11-19)8-13-9-17-18(2)10-13/h9-10,12,20H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyQXVROJMINXEGMX-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.24
Rot. Bonds5

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

N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 111997311) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID111997311
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCO)N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C14H25N5O/c1-3-15-14(16-5-7-20)19-6-4-12(11-19)8-13-9-17-18(2)10-13/h9-10,12,20H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyQXVROJMINXEGMX-UHFFFAOYSA-N
XLogP0.24
TPSA65.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-N-ethyl-N'-(2-hydroxyethyl)pyrrolidine-1-carboximidamide
CID 111991001
N-ethyl-3-(2-methylpropyl)-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111734024
N-[2-[[ethylamino-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111998838
N-ethyl-N'-(2-hydroxy-3-phenylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 111998841
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]-N'-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1-carboximidamide
CID 111997837
2-[[ethylamino-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111997312
N-ethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742108
N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956251
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723326
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111743131
(3R)-N-ethyl-3-hydroxy-N'-[3-(4-methylpyrazol-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549793
3-benzyl-N'-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide (CID 111997311) is N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCO)N1CCC(Cc2cnn(C)c2)C1.
What is the InChIKey of N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is QXVROJMINXEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-15-14(16-5-7-20)19-6-4-12(11-19)8-13-9-17-18(2)10-13/h9-10,12,20H,3-8,11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-hydroxyethyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111997311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).