N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

C18H26IN5 — CID 110984117

IUPACN-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1cc(C)cn1)N1CCc2ccccc21.I
InChIInChI=1S/C18H25N5.HI/c1-3-19-18(20-10-6-11-22-14-15(2)13-21-22)23-12-9-16-7-4-5-8-17(16)23;/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,19,20);1H
InChIKeySUTLEQYIVNTNLH-UHFFFAOYSA-N
MW439.35 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide

N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (PubChem CID 110984117) has the molecular formula C18H26IN5 and a molecular weight of 439.35 g/mol. Its IUPAC name is N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
PubChem CID110984117
Molecular FormulaC18H26IN5
Molecular Weight439.35 g/mol
Exact Mass439.12
IUPAC NameN-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1cc(C)cn1)N1CCc2ccccc21.I
InChIInChI=1S/C18H25N5.HI/c1-3-19-18(20-10-6-11-22-14-15(2)13-21-22)23-12-9-16-7-4-5-8-17(16)23;/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,19,20);1H
InChIKeySUTLEQYIVNTNLH-UHFFFAOYSA-N
XLogP3.23
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(diethylamino)propyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984305
N'-(3-ethoxypropyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110984024
N-ethyl-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985179
N-ethyl-N'-(3-propan-2-yloxypropyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984429
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
N'-[4-(diethylamino)butyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide
CID 110983746
N'-[2-(diethylamino)ethyl]-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984245
N-ethyl-4-(2-methoxyphenyl)-N'-[3-(4-methylpyrazol-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111133052
N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985189
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
1-[4-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 110983760
N-ethyl-N'-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110984718

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide (CID 110984117) is N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is CCN/C(=N\CCCn1cc(C)cn1)N1CCc2ccccc21.I.
What is the InChIKey of N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
The InChIKey is SUTLEQYIVNTNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.HI/c1-3-19-18(20-10-6-11-22-14-15(2)13-21-22)23-12-9-16-7-4-5-8-17(16)23;/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide?
N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide has a molecular weight of 439.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110984117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).