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

C13H26IN5 — CID 109394496

IUPAC2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1c(CC)nn(C)c1CC.I
InChIInChI=1S/C13H25N5.HI/c1-5-8-15-13(14)16-9-10-11(6-2)17-18(4)12(10)7-3;/h5-9H2,1-4H3,(H3,14,15,16);1H
InChIKeyGQXXDAXHQFCKNB-UHFFFAOYSA-N
MW379.29 g/mol
LogP1.98
Rot. Bonds6

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

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide (PubChem CID 109394496) has the molecular formula C13H26IN5 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide
PubChem CID109394496
Molecular FormulaC13H26IN5
Molecular Weight379.29 g/mol
Exact Mass379.12
IUPAC Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1c(CC)nn(C)c1CC.I
InChIInChI=1S/C13H25N5.HI/c1-5-8-15-13(14)16-9-10-11(6-2)17-18(4)12(10)7-3;/h5-9H2,1-4H3,(H3,14,15,16);1H
InChIKeyGQXXDAXHQFCKNB-UHFFFAOYSA-N
XLogP1.98
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 51.98
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 109394458
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-ethyl-3-hexylguanidine;hydroiodide
CID 109401316
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]-1-ethyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 109404000
2-[4-[[N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethylcarbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 109405141
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-(1-propylpiperidin-4-yl)guanidine
CID 109401071
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-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 109400756
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109404086
2-[[N'-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-N-propylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034232
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide
CID 111033772

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide (CID 109394496) is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1c(CC)nn(C)c1CC.I.
What is the InChIKey of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide?
The InChIKey is GQXXDAXHQFCKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5.HI/c1-5-8-15-13(14)16-9-10-11(6-2)17-18(4)12(10)7-3;/h5-9H2,1-4H3,(H3,14,15,16);1H.
What are the key properties of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide?
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-propylguanidine;hydroiodide has a molecular weight of 379.29 g/mol, XLogP of 1.98, 6 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-propylguanidine;hydroiodide is sourced from PubChem (CID 109394496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).