1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

C21H32N6O2 — CID 111655810

IUPAC1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1N1CCOCC1)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C21H32N6O2/c1-4-22-20(24-16-21(2,28)18-14-25-26(3)15-18)23-13-17-7-5-6-8-19(17)27-9-11-29-12-10-27/h5-8,14-15,28H,4,9-13,16H2,1-3H3,(H2,22,23,24)
InChIKeyCNCWQZYLUSQJIZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.22
Rot. Bonds7

About 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111655810) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
PubChem CID111655810
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1N1CCOCC1)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C21H32N6O2/c1-4-22-20(24-16-21(2,28)18-14-25-26(3)15-18)23-13-17-7-5-6-8-19(17)27-9-11-29-12-10-27/h5-8,14-15,28H,4,9-13,16H2,1-3H3,(H2,22,23,24)
InChIKeyCNCWQZYLUSQJIZ-UHFFFAOYSA-N
XLogP1.22
TPSA86.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]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

1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111656695
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111654063
2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111657220
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111656084
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111656032
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111954862
1-ethyl-3-[(2-ethylphenyl)methyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111635340
2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656128
1-ethyl-3-(2-hydroxy-2-phenylpropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 109417454
1-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472953
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111656031
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111656379

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine (CID 111655810) is 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine is CCN/C(=N\Cc1ccccc1N1CCOCC1)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The InChIKey is CNCWQZYLUSQJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-4-22-20(24-16-21(2,28)18-14-25-26(3)15-18)23-13-17-7-5-6-8-19(17)27-9-11-29-12-10-27/h5-8,14-15,28H,4,9-13,16H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 400.53 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111655810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).