1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine

C19H29N5O2 — CID 111956491

IUPAC1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnn1C)NCCCOCc1ccc(OC)cc1
InChIInChI=1S/C19H29N5O2/c1-4-20-19(22-14-17-10-12-23-24(17)2)21-11-5-13-26-15-16-6-8-18(25-3)9-7-16/h6-10,12H,4-5,11,13-15H2,1-3H3,(H2,20,21,22)
InChIKeyDOWPYDBDXPRLCA-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.09
Rot. Bonds10

About 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine

1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine (PubChem CID 111956491) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
PubChem CID111956491
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccnn1C)NCCCOCc1ccc(OC)cc1
InChIInChI=1S/C19H29N5O2/c1-4-20-19(22-14-17-10-12-23-24(17)2)21-11-5-13-26-15-16-6-8-18(25-3)9-7-16/h6-10,12H,4-5,11,13-15H2,1-3H3,(H2,20,21,22)
InChIKeyDOWPYDBDXPRLCA-UHFFFAOYSA-N
XLogP2.09
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111706667
1-(2-butoxyethyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953409
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111693908
1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111941439
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-pentylguanidine
CID 111128285
1-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
1-ethyl-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955764
1-[3-(4-chlorophenyl)propyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955117
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111955531
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111956191
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
CID 110975009
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954310

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine (CID 111956491) is 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1ccnn1C)NCCCOCc1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
The InChIKey is DOWPYDBDXPRLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-4-20-19(22-14-17-10-12-23-24(17)2)21-11-5-13-26-15-16-6-8-18(25-3)9-7-16/h6-10,12H,4-5,11,13-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine?
1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine has a molecular weight of 359.47 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111956491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).