3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine

C13H23N5O — CID 109386231

IUPAC3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccn[nH]1)N(C)CC1CCOC1
InChIInChI=1S/C13H23N5O/c1-3-14-13(15-8-12-4-6-16-17-12)18(2)9-11-5-7-19-10-11/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyPUYDGUCPJWCEIR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.84
Rot. Bonds5

About 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine

3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine (PubChem CID 109386231) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
PubChem CID109386231
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccn[nH]1)N(C)CC1CCOC1
InChIInChI=1S/C13H23N5O/c1-3-14-13(15-8-12-4-6-16-17-12)18(2)9-11-5-7-19-10-11/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyPUYDGUCPJWCEIR-UHFFFAOYSA-N
XLogP0.84
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-(1H-indol-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109385708
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381930
2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381902
3-ethyl-2-(isoquinolin-1-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109382738
3-ethyl-2-(isoquinolin-1-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382737
3-ethyl-1-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109383402
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 109384933
2-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109381910
3-ethyl-2-[(3-hydroxyphenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383423
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109382855
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 109384410
3-ethyl-2-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386227

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine (CID 109386231) is 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine is CCN/C(=N\Cc1ccn[nH]1)N(C)CC1CCOC1.
What is the InChIKey of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
The InChIKey is PUYDGUCPJWCEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-14-13(15-8-12-4-6-16-17-12)18(2)9-11-5-7-19-10-11/h4,6,11H,3,5,7-10H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine?
3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine has a molecular weight of 265.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine is sourced from PubChem (CID 109386231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).