2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine

C22H34N6O3 — CID 111313148

IUPAC2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(c1ccc(OC)c(OC)c1)N1CCOCC1)NCCn1cccn1
InChIInChI=1S/C22H34N6O3/c1-4-23-22(24-9-11-28-10-5-8-26-28)25-17-19(27-12-14-31-15-13-27)18-6-7-20(29-2)21(16-18)30-3/h5-8,10,16,19H,4,9,11-15,17H2,1-3H3,(H2,23,24,25)
InChIKeyYSJKFJXQRUXFJE-UHFFFAOYSA-N
MW430.55 g/mol
LogP1.53
Rot. Bonds10

About 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine

2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 111313148) has the molecular formula C22H34N6O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine
PubChem CID111313148
Molecular FormulaC22H34N6O3
Molecular Weight430.55 g/mol
Exact Mass430.27
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine
SMILESCCN/C(=N\CC(c1ccc(OC)c(OC)c1)N1CCOCC1)NCCn1cccn1
InChIInChI=1S/C22H34N6O3/c1-4-23-22(24-9-11-28-10-5-8-26-28)25-17-19(27-12-14-31-15-13-27)18-6-7-20(29-2)21(16-18)30-3/h5-8,10,16,19H,4,9,11-15,17H2,1-3H3,(H2,23,24,25)
InChIKeyYSJKFJXQRUXFJE-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188188
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111313055
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941467
1-ethyl-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111309974
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111312854
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778624
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-sulfamoylethyl)guanidine
CID 111313102
1-(3-cyclopropylpropyl)-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethylguanidine
CID 111795530
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111124419
3-[[N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111312952
1-ethyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111906406
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethyl-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111778630

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine (CID 111313148) is 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine is CCN/C(=N\CC(c1ccc(OC)c(OC)c1)N1CCOCC1)NCCn1cccn1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is YSJKFJXQRUXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O3/c1-4-23-22(24-9-11-28-10-5-8-26-28)25-17-19(27-12-14-31-15-13-27)18-6-7-20(29-2)21(16-18)30-3/h5-8,10,16,19H,4,9,11-15,17H2,1-3H3,(H2,23,24,25).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine?
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 430.55 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 111313148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).