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

C20H38N6 — CID 109404703

IUPAC2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
SMILESCCN/C(=N\Cc1c(CC)nn(C)c1CC)N(C)CC1CCCN1CC
InChIInChI=1S/C20H38N6/c1-7-18-17(19(8-2)25(6)23-18)14-22-20(21-9-3)24(5)15-16-12-11-13-26(16)10-4/h16H,7-15H2,1-6H3,(H,21,22)
InChIKeyQVZOACIGNFODFQ-UHFFFAOYSA-N
MW362.57 g/mol
LogP2.43
Rot. Bonds8

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

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine (PubChem CID 109404703) has the molecular formula C20H38N6 and a molecular weight of 362.57 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
PubChem CID109404703
Molecular FormulaC20H38N6
Molecular Weight362.57 g/mol
Exact Mass362.32
IUPAC Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
SMILESCCN/C(=N\Cc1c(CC)nn(C)c1CC)N(C)CC1CCCN1CC
InChIInChI=1S/C20H38N6/c1-7-18-17(19(8-2)25(6)23-18)14-22-20(21-9-3)24(5)15-16-12-11-13-26(16)10-4/h16H,7-15H2,1-6H3,(H,21,22)
InChIKeyQVZOACIGNFODFQ-UHFFFAOYSA-N
XLogP2.43
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 52.43
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

1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 109401298
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496353
2-[(5-cyano-2-fluorophenyl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
CID 111991193
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 109401071
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 109406127
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 109405255
2-[4-[[N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
CID 109404838
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 109403148
1-(2-cycloheptyloxyethyl)-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethylguanidine
CID 109403742
2-[[N-cyclopentyl-N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036500
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
CID 111991603
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide
CID 109406194

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine?
The IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine (CID 109404703) is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine.
What is the SMILES notation for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine?
The canonical SMILES for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine is CCN/C(=N\Cc1c(CC)nn(C)c1CC)N(C)CC1CCCN1CC.
What is the InChIKey of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine?
The InChIKey is QVZOACIGNFODFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N6/c1-7-18-17(19(8-2)25(6)23-18)14-22-20(21-9-3)24(5)15-16-12-11-13-26(16)10-4/h16H,7-15H2,1-6H3,(H,21,22).
What are the key properties of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine?
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine has a molecular weight of 362.57 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine is sourced from PubChem (CID 109404703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).