1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine

C18H33N5 — CID 111255887

IUPAC1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c(C)nn(C)c1C)NC1CCC(C)CC1
InChIInChI=1S/C18H33N5/c1-6-19-18(21-16-9-7-13(2)8-10-16)20-12-11-17-14(3)22-23(5)15(17)4/h13,16H,6-12H2,1-5H3,(H2,19,20,21)
InChIKeyFVZCWCADVSGUFM-UHFFFAOYSA-N
MW319.50 g/mol
LogP2.71
Rot. Bonds5

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

1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine (PubChem CID 111255887) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
PubChem CID111255887
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1c(C)nn(C)c1C)NC1CCC(C)CC1
InChIInChI=1S/C18H33N5/c1-6-19-18(21-16-9-7-13(2)8-10-16)20-12-11-17-14(3)22-23(5)15(17)4/h13,16H,6-12H2,1-5H3,(H2,19,20,21)
InChIKeyFVZCWCADVSGUFM-UHFFFAOYSA-N
XLogP2.71
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 52.71
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'}

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Related Compounds

1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-ethyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 75494809
N-ethyl-4-methyl-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
CID 111210419
1-ethyl-3-prop-2-ynyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 136922118
2-butyl-1-ethyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111150920
1-ethyl-3-(4-methylcyclohexyl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111257175
1-ethyl-3-(2-methylcyclopropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952321
N-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36908003
2-methyl-1-(1-propylpiperidin-4-yl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111019371
1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
1-ethyl-2-hexyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111161437
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
1-ethyl-3-(1-phenylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 110949760

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine (CID 111255887) is 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine is CCN/C(=N\CCc1c(C)nn(C)c1C)NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is FVZCWCADVSGUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5/c1-6-19-18(21-16-9-7-13(2)8-10-16)20-12-11-17-14(3)22-23(5)15(17)4/h13,16H,6-12H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 319.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylcyclohexyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111255887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).