1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

C15H22IN5 — CID 111038103

IUPAC1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccccc1Cn1cccn1.I
InChIInChI=1S/C15H21N5.HI/c1-2-8-17-15(16)18-11-13-6-3-4-7-14(13)12-20-10-5-9-19-20;/h3-7,9-10H,2,8,11-12H2,1H3,(H3,16,17,18);1H
InChIKeyBRHUFICHNQZPCU-UHFFFAOYSA-N
MW399.28 g/mol
LogP2.36
Rot. Bonds6

About 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide

1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111038103) has the molecular formula C15H22IN5 and a molecular weight of 399.28 g/mol. Its IUPAC name is 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
PubChem CID111038103
Molecular FormulaC15H22IN5
Molecular Weight399.28 g/mol
Exact Mass399.09
IUPAC Name1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccccc1Cn1cccn1.I
InChIInChI=1S/C15H21N5.HI/c1-2-8-17-15(16)18-11-13-6-3-4-7-14(13)12-20-10-5-9-19-20;/h3-7,9-10H,2,8,11-12H2,1H3,(H3,16,17,18);1H
InChIKeyBRHUFICHNQZPCU-UHFFFAOYSA-N
XLogP2.36
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 52.36
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

1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111038122
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893190
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
2-[(2-bromophenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912322
3-ethyl-1,1-dimethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851916
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111851443
1-(3-propan-2-ylphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038147
1-ethyl-3-propan-2-yl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111125273
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
1-ethyl-3-(2-methylpropyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111179235
1-(2-butoxyethyl)-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851676

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide (CID 111038103) is 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide is CCCN/C(N)=N/Cc1ccccc1Cn1cccn1.I.
What is the InChIKey of 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is BRHUFICHNQZPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5.HI/c1-2-8-17-15(16)18-11-13-6-3-4-7-14(13)12-20-10-5-9-19-20;/h3-7,9-10H,2,8,11-12H2,1H3,(H3,16,17,18);1H.
What are the key properties of 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide?
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 399.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111038103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).