2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine

C21H33N5 — CID 109402410

IUPAC2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine
SMILESCCN/C(=N\Cc1c(CC)nn(C)c1CC)NC(C)c1ccccc1C
InChIInChI=1S/C21H33N5/c1-7-19-18(20(8-2)26(6)25-19)14-23-21(22-9-3)24-16(5)17-13-11-10-12-15(17)4/h10-13,16H,7-9,14H2,1-6H3,(H2,22,23,24)
InChIKeyNRQFUMZUFRMWCY-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.67
Rot. Bonds7

About 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine (PubChem CID 109402410) has the molecular formula C21H33N5 and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine
PubChem CID109402410
Molecular FormulaC21H33N5
Molecular Weight355.53 g/mol
Exact Mass355.27
IUPAC Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine
SMILESCCN/C(=N\Cc1c(CC)nn(C)c1CC)NC(C)c1ccccc1C
InChIInChI=1S/C21H33N5/c1-7-19-18(20(8-2)26(6)25-19)14-23-21(22-9-3)24-16(5)17-13-11-10-12-15(17)4/h10-13,16H,7-9,14H2,1-6H3,(H2,22,23,24)
InChIKeyNRQFUMZUFRMWCY-UHFFFAOYSA-N
XLogP3.67
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]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-[1-(1-benzofuran-2-yl)ethyl]-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethylguanidine
CID 109403000
2-[[N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-(1-phenylethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033592
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 109400756
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 109401055
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 109402747
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 109402504
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(1-phenylpiperidin-4-yl)guanidine
CID 109405327
N-[2-[[ethylamino-[1-(2-methylphenyl)ethylamino]methylidene]amino]ethyl]-2-methylpropanamide
CID 111321960
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 109401316
1-ethyl-3-[1-(2-methylphenyl)ethyl]-2-[(3-nitrophenyl)methyl]guanidine
CID 111322062
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethylguanidine
CID 109404545
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 109404000

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine?
The IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine (CID 109402410) is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine?
The canonical SMILES for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine is CCN/C(=N\Cc1c(CC)nn(C)c1CC)NC(C)c1ccccc1C.
What is the InChIKey of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine?
The InChIKey is NRQFUMZUFRMWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5/c1-7-19-18(20(8-2)26(6)25-19)14-23-21(22-9-3)24-16(5)17-13-11-10-12-15(17)4/h10-13,16H,7-9,14H2,1-6H3,(H2,22,23,24).
What are the key properties of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine?
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine has a molecular weight of 355.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[1-(2-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 109402410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).