1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine

C20H29N5 — CID 110959175

IUPAC1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cnn(-c2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C20H29N5/c1-2-21-20(24-18-9-5-3-6-10-18)22-14-13-17-15-23-25(16-17)19-11-7-4-8-12-19/h4,7-8,11-12,15-16,18H,2-3,5-6,9-10,13-14H2,1H3,(H2,21,22,24)
InChIKeyGAFHHAWHIJVQIZ-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.30
Rot. Bonds6

About 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine

1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine (PubChem CID 110959175) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
PubChem CID110959175
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cnn(-c2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C20H29N5/c1-2-21-20(24-18-9-5-3-6-10-18)22-14-13-17-15-23-25(16-17)19-11-7-4-8-12-19/h4,7-8,11-12,15-16,18H,2-3,5-6,9-10,13-14H2,1H3,(H2,21,22,24)
InChIKeyGAFHHAWHIJVQIZ-UHFFFAOYSA-N
XLogP3.30
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.30
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-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine
CID 111126696
1-ethyl-3-(1-phenylethyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950059
1-cyclopropyl-3-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110988940
1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine
CID 111225629
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956679
2-[(1-benzylpyrazol-4-yl)methyl]-1-cyclohexyl-3-ethylguanidine
CID 110958515
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
N-ethyl-3-phenyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723550
1-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111123785
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111924859
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111894812
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine (CID 110959175) is 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine is CCN/C(=N\CCc1cnn(-c2ccccc2)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is GAFHHAWHIJVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-2-21-20(24-18-9-5-3-6-10-18)22-14-13-17-15-23-25(16-17)19-11-7-4-8-12-19/h4,7-8,11-12,15-16,18H,2-3,5-6,9-10,13-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine?
1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 339.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 110959175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).