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

C16H29N5 — CID 110957918

IUPAC1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCn1cc(C)cn1)NC1CCCCC1
InChIInChI=1S/C16H29N5/c1-3-17-16(20-15-8-5-4-6-9-15)18-10-7-11-21-13-14(2)12-19-21/h12-13,15H,3-11H2,1-2H3,(H2,17,18,20)
InChIKeyQRJCWTONNIMMPP-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.47
Rot. Bonds6

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

1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine (PubChem CID 110957918) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
PubChem CID110957918
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESCCN/C(=N\CCCn1cc(C)cn1)NC1CCCCC1
InChIInChI=1S/C16H29N5/c1-3-17-16(20-15-8-5-4-6-9-15)18-10-7-11-21-13-14(2)12-19-21/h12-13,15H,3-11H2,1-2H3,(H2,17,18,20)
InChIKeyQRJCWTONNIMMPP-UHFFFAOYSA-N
XLogP2.47
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329712
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111979160
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111397611
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-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111912780
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
1-cyclopropyl-3-ethyl-2-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 110989071
1-ethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]-2-pentylguanidine;hydroiodide
CID 111760622
1-cyclopentyl-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 110989999
1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110990839
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine (CID 110957918) is 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine is CCN/C(=N\CCCn1cc(C)cn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The InChIKey is QRJCWTONNIMMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-17-16(20-15-8-5-4-6-9-15)18-10-7-11-21-13-14(2)12-19-21/h12-13,15H,3-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
1-cyclohexyl-3-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]guanidine has a molecular weight of 291.44 g/mol, XLogP of 2.47, 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-[3-(4-methylpyrazol-1-yl)propyl]guanidine is sourced from PubChem (CID 110957918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).