N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide

C15H26IN5O2 — CID 120581716

IUPACN'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C15H25N5O2.HI/c1-2-20-13(3-5-18-20)14-12(4-8-22-14)11-17-15(16)19-6-9-21-10-7-19;/h3,5,12,14H,2,4,6-11H2,1H3,(H2,16,17);1H/t12-,14+;/m0./s1
InChIKeyYUZUUMADEMZQJA-DSHXVJGRSA-N
MW435.31 g/mol
LogP1.25
Rot. Bonds4

About N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120581716) has the molecular formula C15H26IN5O2 and a molecular weight of 435.31 g/mol. Its IUPAC name is N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120581716
Molecular FormulaC15H26IN5O2
Molecular Weight435.31 g/mol
Exact Mass435.11
IUPAC NameN'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C15H25N5O2.HI/c1-2-20-13(3-5-18-20)14-12(4-8-22-14)11-17-15(16)19-6-9-21-10-7-19;/h3,5,12,14H,2,4,6-11H2,1H3,(H2,16,17);1H/t12-,14+;/m0./s1
InChIKeyYUZUUMADEMZQJA-DSHXVJGRSA-N
XLogP1.25
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 120581716) is N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide is CCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCOCC1.I.
What is the InChIKey of N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is YUZUUMADEMZQJA-DSHXVJGRSA-N. The full InChI is InChI=1S/C15H25N5O2.HI/c1-2-20-13(3-5-18-20)14-12(4-8-22-14)11-17-15(16)19-6-9-21-10-7-19;/h3,5,12,14H,2,4,6-11H2,1H3,(H2,16,17);1H/t12-,14+;/m0./s1.
What are the key properties of N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 435.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120581716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).