3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine

C17H25N5O — CID 111273605

IUPAC3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\Cc1ccnn1C)N(C)CCOc1ccccc1
InChIInChI=1S/C17H25N5O/c1-4-18-17(19-14-15-10-11-20-22(15)3)21(2)12-13-23-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3,(H,18,19)
InChIKeyWKCZJFRIPIGZKV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.90
Rot. Bonds7

About 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine

3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine (PubChem CID 111273605) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine.

Molecular Properties

Compound Name3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine
PubChem CID111273605
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine
SMILESCCN/C(=N\Cc1ccnn1C)N(C)CCOc1ccccc1
InChIInChI=1S/C17H25N5O/c1-4-18-17(19-14-15-10-11-20-22(15)3)21(2)12-13-23-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3,(H,18,19)
InChIKeyWKCZJFRIPIGZKV-UHFFFAOYSA-N
XLogP1.90
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-methyl-1-(2-phenoxyethyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111273137
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111286945
3-ethyl-1-methyl-1-(2-phenoxyethyl)-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111513962
3-ethyl-1-methyl-1-[(2-methylphenyl)methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111286944
3-ethyl-1-methyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-phenoxyethyl)guanidine
CID 111513990
2-(2-ethoxyethyl)-3-ethyl-1-methyl-1-(2-phenoxyethyl)guanidine
CID 111274021
3-ethyl-1-methyl-2-[(2-morpholin-4-ylphenyl)methyl]-1-(2-phenoxyethyl)guanidine
CID 111273553
3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111274220
3-ethyl-1-methyl-2-[(4-methylsulfonylphenyl)methyl]-1-(2-phenoxyethyl)guanidine
CID 111273249
3-ethyl-1-methyl-1-(2-phenoxyethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111274509
3-ethyl-1-methyl-1-(2-phenoxyethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111273186
1-[[4-(difluoromethoxy)phenyl]methyl]-3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111288086

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine?
The IUPAC name of 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine (CID 111273605) is 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine.
What is the SMILES notation for 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine?
The canonical SMILES for 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine is CCN/C(=N\Cc1ccnn1C)N(C)CCOc1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine?
The InChIKey is WKCZJFRIPIGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-18-17(19-14-15-10-11-20-22(15)3)21(2)12-13-23-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine?
3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine has a molecular weight of 315.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2-[(2-methylpyrazol-3-yl)methyl]-1-(2-phenoxyethyl)guanidine is sourced from PubChem (CID 111273605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).