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

C18H34IN5 — CID 111738889

IUPACN'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1nc(C)cc1C)N1CCC(C)(C)C1.I
InChIInChI=1S/C18H33N5.HI/c1-7-19-17(22-9-8-18(5,6)13-22)20-11-14(2)12-23-16(4)10-15(3)21-23;/h10,14H,7-9,11-13H2,1-6H3,(H,19,20);1H
InChIKeyWXSSARBCCSOVQU-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.45
Rot. Bonds5

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

N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111738889) has the molecular formula C18H34IN5 and a molecular weight of 447.41 g/mol. Its IUPAC name is N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111738889
Molecular FormulaC18H34IN5
Molecular Weight447.41 g/mol
Exact Mass447.19
IUPAC NameN'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1nc(C)cc1C)N1CCC(C)(C)C1.I
InChIInChI=1S/C18H33N5.HI/c1-7-19-17(22-9-8-18(5,6)13-22)20-11-14(2)12-23-16(4)10-15(3)21-23;/h10,14H,7-9,11-13H2,1-6H3,(H,19,20);1H
InChIKeyWXSSARBCCSOVQU-UHFFFAOYSA-N
XLogP3.45
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.45
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-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723312
1-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-ethylguanidine
CID 110989297
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109489375
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111187274
N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 111739906
N-butan-2-yl-3-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]propanamide;hydroiodide
CID 111740081
3-[[N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide
CID 111942025
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136042
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180705
N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738535
N-[4-[2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111740421
2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-ethyl-3-(4-methylsulfanylbutyl)guanidine
CID 111627728

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111738889) is N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)Cn1nc(C)cc1C)N1CCC(C)(C)C1.I.
What is the InChIKey of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is WXSSARBCCSOVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5.HI/c1-7-19-17(22-9-8-18(5,6)13-22)20-11-14(2)12-23-16(4)10-15(3)21-23;/h10,14H,7-9,11-13H2,1-6H3,(H,19,20);1H.
What are the key properties of N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 447.41 g/mol, XLogP of 3.45, 5 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-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111738889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).