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

C15H25N5O2 — CID 120581717

IUPACN'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C15H25N5O2/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)/t12-,14+/m0/s1
InChIKeyIHRSWYJRRSPYBJ-GXTWGEPZSA-N
MW307.40 g/mol
LogP0.63
Rot. Bonds4

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

N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide (PubChem CID 120581717) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide
PubChem CID120581717
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide
SMILESCCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C15H25N5O2/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)/t12-,14+/m0/s1
InChIKeyIHRSWYJRRSPYBJ-GXTWGEPZSA-N
XLogP0.63
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.63
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'}

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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?
The IUPAC name of N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide (CID 120581717) is N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide is CCn1nccc1[C@@H]1OCC[C@H]1C/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide?
The InChIKey is IHRSWYJRRSPYBJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H25N5O2/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)/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?
N'-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]methyl]morpholine-4-carboximidamide has a molecular weight of 307.40 g/mol, XLogP of 0.63, 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 is sourced from PubChem (CID 120581717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).