1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

C14H22IN5O2 — CID 111671513

IUPAC1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccn[nH]1)NCC(C)(O)c1ccco1.I
InChIInChI=1S/C14H21N5O2.HI/c1-3-15-13(16-9-11-6-7-18-19-11)17-10-14(2,20)12-5-4-8-21-12;/h4-8,20H,3,9-10H2,1-2H3,(H,18,19)(H2,15,16,17);1H
InChIKeyNYEYATJYYMQUDQ-UHFFFAOYSA-N
MW419.27 g/mol
LogP1.58
Rot. Bonds6

About 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide

1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (PubChem CID 111671513) has the molecular formula C14H22IN5O2 and a molecular weight of 419.27 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
PubChem CID111671513
Molecular FormulaC14H22IN5O2
Molecular Weight419.27 g/mol
Exact Mass419.08
IUPAC Name1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccn[nH]1)NCC(C)(O)c1ccco1.I
InChIInChI=1S/C14H21N5O2.HI/c1-3-15-13(16-9-11-6-7-18-19-11)17-10-14(2,20)12-5-4-8-21-12;/h4-8,20H,3,9-10H2,1-2H3,(H,18,19)(H2,15,16,17);1H
InChIKeyNYEYATJYYMQUDQ-UHFFFAOYSA-N
XLogP1.58
TPSA98.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 51.58
H-Bond Donors ≤ 54
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-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 110938759
2-benzyl-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111492847
1-ethyl-3-(2-methyl-2-phenylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111948287
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672851
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111511753
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111320616
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[4-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111672857
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111672407
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111672656
4-[[[ethylamino-[[2-(furan-2-yl)-2-hydroxypropyl]amino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111672471
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111672079
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111672345

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide (CID 111671513) is 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccn[nH]1)NCC(C)(O)c1ccco1.I.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
The InChIKey is NYEYATJYYMQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.HI/c1-3-15-13(16-9-11-6-7-18-19-11)17-10-14(2,20)12-5-4-8-21-12;/h4-8,20H,3,9-10H2,1-2H3,(H,18,19)(H2,15,16,17);1H.
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide has a molecular weight of 419.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111671513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).