1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine

C19H29N5O2 — CID 111296341

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESC/N=C(\NCCCn1cc(C)cn1)N(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C19H29N5O2/c1-15-12-22-24(13-15)10-6-9-21-19(20-2)23(3)14-16-7-8-17(25-4)11-18(16)26-5/h7-8,11-13H,6,9-10,14H2,1-5H3,(H,20,21)
InChIKeyONPYDJXPTAVKRC-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.31
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine

1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine (PubChem CID 111296341) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
PubChem CID111296341
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESC/N=C(\NCCCn1cc(C)cn1)N(C)Cc1ccc(OC)cc1OC
InChIInChI=1S/C19H29N5O2/c1-15-12-22-24(13-15)10-6-9-21-19(20-2)23(3)14-16-7-8-17(25-4)11-18(16)26-5/h7-8,11-13H,6,9-10,14H2,1-5H3,(H,20,21)
InChIKeyONPYDJXPTAVKRC-UHFFFAOYSA-N
XLogP2.31
TPSA63.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
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

3-(3-butoxypropyl)-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111296357
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-(2-methylsulfonylethyl)guanidine
CID 111296749
1-[(2,4-dimethoxyphenyl)methyl]-3-(3,3-dimethylbutyl)-1,2-dimethylguanidine;hydroiodide
CID 111296428
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111296350
1-[(2,4-dimethoxyphenyl)methyl]-3-(2-ethoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 111296474
3-[3-(benzenesulfonyl)propyl]-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111297210
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111296214
3-(3-cyclopentyloxypropyl)-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111296083
N-[3-[[N-[(2,4-dimethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111296586
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111297099
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111296288
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethylguanidine
CID 111297395

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine (CID 111296341) is 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine is C/N=C(\NCCCn1cc(C)cn1)N(C)Cc1ccc(OC)cc1OC.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The InChIKey is ONPYDJXPTAVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-15-12-22-24(13-15)10-6-9-21-19(20-2)23(3)14-16-7-8-17(25-4)11-18(16)26-5/h7-8,11-13H,6,9-10,14H2,1-5H3,(H,20,21).
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine has a molecular weight of 359.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-1,2-dimethyl-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine is sourced from PubChem (CID 111296341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).