1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide

C19H30IN5O — CID 109408465

IUPAC1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1cccn1)NCC(CO)c1ccccc1.I
InChIInChI=1S/C19H29N5O.HI/c1-3-20-19(21-12-16(2)14-24-11-7-10-23-24)22-13-18(15-25)17-8-5-4-6-9-17;/h4-11,16,18,25H,3,12-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyQPDNQSPLKBBVEI-UHFFFAOYSA-N
MW471.39 g/mol
LogP2.47
Rot. Bonds9

About 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide

1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide (PubChem CID 109408465) has the molecular formula C19H30IN5O and a molecular weight of 471.39 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
PubChem CID109408465
Molecular FormulaC19H30IN5O
Molecular Weight471.39 g/mol
Exact Mass471.15
IUPAC Name1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)Cn1cccn1)NCC(CO)c1ccccc1.I
InChIInChI=1S/C19H29N5O.HI/c1-3-20-19(21-12-16(2)14-24-11-7-10-23-24)22-13-18(15-25)17-8-5-4-6-9-17;/h4-11,16,18,25H,3,12-15H2,1-2H3,(H2,20,21,22);1H
InChIKeyQPDNQSPLKBBVEI-UHFFFAOYSA-N
XLogP2.47
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198913
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
CID 111226135
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126008
1-ethyl-3-(3-methylbutyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110979182
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-pentylguanidine;hydroiodide
CID 111129674
1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110942411
1-ethyl-3-hexyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111161598
1-ethyl-3-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111291581
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014
1-tert-butyl-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110967020
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111868342
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 109407912

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide (CID 109408465) is 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C)Cn1cccn1)NCC(CO)c1ccccc1.I.
What is the InChIKey of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is QPDNQSPLKBBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.HI/c1-3-20-19(21-12-16(2)14-24-11-7-10-23-24)22-13-18(15-25)17-8-5-4-6-9-17;/h4-11,16,18,25H,3,12-15H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 471.39 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 109408465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).