1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide

C15H28IN5O — CID 111979160

IUPAC1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCn1cc(C)cn1)NC1CCC(O)CC1.I
InChIInChI=1S/C15H27N5O.HI/c1-3-16-15(19-13-4-6-14(21)7-5-13)17-8-9-20-11-12(2)10-18-20;/h10-11,13-14,21H,3-9H2,1-2H3,(H2,16,17,19);1H
InChIKeyDSBSGEWPMQEDAC-UHFFFAOYSA-N
MW421.33 g/mol
LogP1.67
Rot. Bonds5

About 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide

1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 111979160) has the molecular formula C15H28IN5O and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID111979160
Molecular FormulaC15H28IN5O
Molecular Weight421.33 g/mol
Exact Mass421.13
IUPAC Name1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCn1cc(C)cn1)NC1CCC(O)CC1.I
InChIInChI=1S/C15H27N5O.HI/c1-3-16-15(19-13-4-6-14(21)7-5-13)17-8-9-20-11-12(2)10-18-20;/h10-11,13-14,21H,3-9H2,1-2H3,(H2,16,17,19);1H
InChIKeyDSBSGEWPMQEDAC-UHFFFAOYSA-N
XLogP1.67
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
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

1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 110957918
ethyl 4-[[N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329712
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110988940
1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide
CID 111760622
1-ethyl-3-(5-methylhexan-2-yl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111762856
1-ethyl-3-(4-methylcyclohexyl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111257175
1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]methyl]guanidine;hydroiodide
CID 111979558
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125112
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 109458500
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111397611
1-ethyl-3-(4-hydroxycyclohexyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111190517

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide (CID 111979160) is 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide is CCN/C(=N\CCn1cc(C)cn1)NC1CCC(O)CC1.I.
What is the InChIKey of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is DSBSGEWPMQEDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O.HI/c1-3-16-15(19-13-4-6-14(21)7-5-13)17-8-9-20-11-12(2)10-18-20;/h10-11,13-14,21H,3-9H2,1-2H3,(H2,16,17,19);1H.
What are the key properties of 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide?
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 421.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111979160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).