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

C17H34IN5 — CID 109401298

IUPAC1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
SMILESCCCCN(C)/C(=N/Cc1c(CC)nn(C)c1CC)NCC.I
InChIInChI=1S/C17H33N5.HI/c1-7-11-12-21(5)17(18-10-4)19-13-14-15(8-2)20-22(6)16(14)9-3;/h7-13H2,1-6H3,(H,18,19);1H
InChIKeyWWQOJTPSJGQRRZ-UHFFFAOYSA-N
MW435.40 g/mol
LogP3.36
Rot. Bonds8

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

1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide (PubChem CID 109401298) has the molecular formula C17H34IN5 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
PubChem CID109401298
Molecular FormulaC17H34IN5
Molecular Weight435.40 g/mol
Exact Mass435.19
IUPAC Name1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
SMILESCCCCN(C)/C(=N/Cc1c(CC)nn(C)c1CC)NCC.I
InChIInChI=1S/C17H33N5.HI/c1-7-11-12-21(5)17(18-10-4)19-13-14-15(8-2)20-22(6)16(14)9-3;/h7-13H2,1-6H3,(H,18,19);1H
InChIKeyWWQOJTPSJGQRRZ-UHFFFAOYSA-N
XLogP3.36
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109496353
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 109401316
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylguanidine
CID 109404703
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide
CID 109394496
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 109404000
1-butyl-3-ethyl-1-methyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111158855
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 109407151
1-butyl-3-ethyl-1-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111159853
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 109400712
1-butyl-2-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111158044
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 109402515
1-butyl-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111159082

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide?
The IUPAC name of 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide (CID 109401298) is 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide is CCCCN(C)/C(=N/Cc1c(CC)nn(C)c1CC)NCC.I.
What is the InChIKey of 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide?
The InChIKey is WWQOJTPSJGQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5.HI/c1-7-11-12-21(5)17(18-10-4)19-13-14-15(8-2)20-22(6)16(14)9-3;/h7-13H2,1-6H3,(H,18,19);1H.
What are the key properties of 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide?
1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide has a molecular weight of 435.40 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide is sourced from PubChem (CID 109401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).