1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide

C15H28IN5 — CID 111068795

IUPAC1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCc1nn(C)c(C)c1CC/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C15H27N5.HI/c1-11-14(12(2)20(3)19-11)9-10-17-15(16)18-13-7-5-4-6-8-13;/h13H,4-10H2,1-3H3,(H3,16,17,18);1H
InChIKeyGNQOJZBYMXAWMH-UHFFFAOYSA-N
MW405.33 g/mol
LogP2.43
Rot. Bonds4

About 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide

1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111068795) has the molecular formula C15H28IN5 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111068795
Molecular FormulaC15H28IN5
Molecular Weight405.33 g/mol
Exact Mass405.14
IUPAC Name1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCc1nn(C)c(C)c1CC/N=C(\N)NC1CCCCC1.I
InChIInChI=1S/C15H27N5.HI/c1-11-14(12(2)20(3)19-11)9-10-17-15(16)18-13-7-5-4-6-8-13;/h13H,4-10H2,1-3H3,(H3,16,17,18);1H
InChIKeyGNQOJZBYMXAWMH-UHFFFAOYSA-N
XLogP2.43
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 52.43
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-amino-3-cyclohexyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 104887221
1-cyclopentyl-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]guanidine
CID 119147204
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111807297
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111255887
1-cyclohexyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]guanidine
CID 111975463
1-cyclopropyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]guanidine
CID 110061776
2-butyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068793
2-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]guanidine
CID 167965198
[1-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105282113
2-(2-methoxyethyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110914357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 111068795) is 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is Cc1nn(C)c(C)c1CC/N=C(\N)NC1CCCCC1.I.
What is the InChIKey of 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is GNQOJZBYMXAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5.HI/c1-11-14(12(2)20(3)19-11)9-10-17-15(16)18-13-7-5-4-6-8-13;/h13H,4-10H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 405.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111068795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).