1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

C10H20IN5O — CID 111070159

IUPAC1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/Cc1ccn[nH]1.I
InChIInChI=1S/C10H19N5O.HI/c1-2-16-7-3-5-12-10(11)13-8-9-4-6-14-15-9;/h4,6H,2-3,5,7-8H2,1H3,(H,14,15)(H3,11,12,13);1H
InChIKeyVUWYCHKLMYBYDS-UHFFFAOYSA-N
MW353.21 g/mol
LogP0.86
Rot. Bonds7

About 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (PubChem CID 111070159) has the molecular formula C10H20IN5O and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
PubChem CID111070159
Molecular FormulaC10H20IN5O
Molecular Weight353.21 g/mol
Exact Mass353.07
IUPAC Name1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESCCOCCCN/C(N)=N/Cc1ccn[nH]1.I
InChIInChI=1S/C10H19N5O.HI/c1-2-16-7-3-5-12-10(11)13-8-9-4-6-14-15-9;/h4,6H,2-3,5,7-8H2,1H3,(H,14,15)(H3,11,12,13);1H
InChIKeyVUWYCHKLMYBYDS-UHFFFAOYSA-N
XLogP0.86
TPSA88.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 50.86
H-Bond Donors ≤ 53
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

1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111025700
1-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025701
1-(3-ethoxypropyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111046016
1-(3-ethoxypropyl)-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine;hydroiodide
CID 111101564
1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077313
1-(3-ethoxypropyl)-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111053394
1-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070163
2-[(3-bromophenyl)methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 75364738
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 109394754
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127
2-[(3-bromophenyl)methyl]-1-(3-ethoxypropyl)guanidine
CID 75364739
2-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111045687

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (CID 111070159) is 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is CCOCCCN/C(N)=N/Cc1ccn[nH]1.I.
What is the InChIKey of 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The InChIKey is VUWYCHKLMYBYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O.HI/c1-2-16-7-3-5-12-10(11)13-8-9-4-6-14-15-9;/h4,6H,2-3,5,7-8H2,1H3,(H,14,15)(H3,11,12,13);1H.
What are the key properties of 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide has a molecular weight of 353.21 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111070159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).