1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide

C12H16IN5 — CID 110912588

IUPAC1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCn1cccn1)Nc1ccccc1
InChIInChI=1S/C12H15N5.HI/c13-12(16-11-5-2-1-3-6-11)14-8-10-17-9-4-7-15-17;/h1-7,9H,8,10H2,(H3,13,14,16);1H
InChIKeyCWAVHJJHPOQNDE-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.93
Rot. Bonds4

About 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide

1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 110912588) has the molecular formula C12H16IN5 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
PubChem CID110912588
Molecular FormulaC12H16IN5
Molecular Weight357.20 g/mol
Exact Mass357.05
IUPAC Name1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCn1cccn1)Nc1ccccc1
InChIInChI=1S/C12H15N5.HI/c13-12(16-11-5-2-1-3-6-11)14-8-10-17-9-4-7-15-17;/h1-7,9H,8,10H2,(H3,13,14,16);1H
InChIKeyCWAVHJJHPOQNDE-UHFFFAOYSA-N
XLogP1.93
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.93
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-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 116514712
1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046515
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 119119806
1-(2-phenylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046491
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 119119807
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110920836
1-(3-chloro-4-methoxyphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046562
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110916157

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide (CID 110912588) is 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCn1cccn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is CWAVHJJHPOQNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5.HI/c13-12(16-11-5-2-1-3-6-11)14-8-10-17-9-4-7-15-17;/h1-7,9H,8,10H2,(H3,13,14,16);1H.
What are the key properties of 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 357.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110912588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).