1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine

C19H29N5O — CID 110940344

IUPAC1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1cn(-c2ccccc2)nc1C)NCCOC
InChIInChI=1S/C19H29N5O/c1-4-20-19(22-13-14-25-3)21-12-8-9-17-15-24(23-16(17)2)18-10-6-5-7-11-18/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3,(H2,20,21,22)
InChIKeyVZGRHBSMAQBAKC-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.31
Rot. Bonds9

About 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine

1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine (PubChem CID 110940344) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine
PubChem CID110940344
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine
SMILESCCN/C(=N\CCCc1cn(-c2ccccc2)nc1C)NCCOC
InChIInChI=1S/C19H29N5O/c1-4-20-19(22-13-14-25-3)21-12-8-9-17-15-24(23-16(17)2)18-10-6-5-7-11-18/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3,(H2,20,21,22)
InChIKeyVZGRHBSMAQBAKC-UHFFFAOYSA-N
XLogP2.31
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-chlorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111544479
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111404194
1-ethyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953593
1-ethyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014314
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111672011
1-ethyl-3-(2-methoxyethyl)-2-[4-(4-phenylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110940489
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 110942179
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-methoxyethyl)guanidine
CID 111790084
1-benzyl-2-methyl-3-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 110953005
3-ethyl-1-methyl-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109424791
2-[3-(4-bromo-2-fluorophenyl)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111604243
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110942282

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine (CID 110940344) is 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine is CCN/C(=N\CCCc1cn(-c2ccccc2)nc1C)NCCOC.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine?
The InChIKey is VZGRHBSMAQBAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-20-19(22-13-14-25-3)21-12-8-9-17-15-24(23-16(17)2)18-10-6-5-7-11-18/h5-7,10-11,15H,4,8-9,12-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine?
1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine has a molecular weight of 343.48 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]guanidine is sourced from PubChem (CID 110940344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).