2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide

C12H17IN6 — CID 119119227

IUPAC2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCn1cc(CC/N=C(\N)Nc2ccccn2)cn1.I
InChIInChI=1S/C12H16N6.HI/c1-18-9-10(8-16-18)5-7-15-12(13)17-11-4-2-3-6-14-11;/h2-4,6,8-9H,5,7H2,1H3,(H3,13,14,15,17);1H
InChIKeyYVVHBWLGFLEXLV-UHFFFAOYSA-N
MW372.21 g/mol
LogP1.40
Rot. Bonds4

About 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119119227) has the molecular formula C12H17IN6 and a molecular weight of 372.21 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119119227
Molecular FormulaC12H17IN6
Molecular Weight372.21 g/mol
Exact Mass372.06
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCn1cc(CC/N=C(\N)Nc2ccccn2)cn1.I
InChIInChI=1S/C12H16N6.HI/c1-18-9-10(8-16-18)5-7-15-12(13)17-11-4-2-3-6-14-11;/h2-4,6,8-9H,5,7H2,1H3,(H3,13,14,15,17);1H
InChIKeyYVVHBWLGFLEXLV-UHFFFAOYSA-N
XLogP1.40
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(1-methylpyrazol-4-yl)ethyl]-1-phenylguanidine;hydroiodide
CID 110916157
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066872
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066873
1-(3,5-dimethylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066854
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599072
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721247
1-(6-methylheptan-2-yl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066866
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
1-(2,6-diethylphenyl)-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine;hydroiodide
CID 111098480
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120662941
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120862
1-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111066876

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119119227) is 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide is Cn1cc(CC/N=C(\N)Nc2ccccn2)cn1.I.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is YVVHBWLGFLEXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6.HI/c1-18-9-10(8-16-18)5-7-15-12(13)17-11-4-2-3-6-14-11;/h2-4,6,8-9H,5,7H2,1H3,(H3,13,14,15,17);1H.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 372.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119119227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).