1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C19H36N6 — CID 111568727

IUPAC1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)Cn1cccn1)NCCN1CCCCC1CC
InChIInChI=1S/C19H36N6/c1-4-18-9-6-7-12-24(18)14-11-21-19(20-5-2)22-15-17(3)16-25-13-8-10-23-25/h8,10,13,17-18H,4-7,9,11-12,14-16H2,1-3H3,(H2,20,21,22)
InChIKeyQMOYCPHOJLFPBN-UHFFFAOYSA-N
MW348.54 g/mol
LogP2.34
Rot. Bonds9

About 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111568727) has the molecular formula C19H36N6 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111568727
Molecular FormulaC19H36N6
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Name1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)Cn1cccn1)NCCN1CCCCC1CC
InChIInChI=1S/C19H36N6/c1-4-18-9-6-7-12-24(18)14-11-21-19(20-5-2)22-15-17(3)16-25-13-8-10-23-25/h8,10,13,17-18H,4-7,9,11-12,14-16H2,1-3H3,(H2,20,21,22)
InChIKeyQMOYCPHOJLFPBN-UHFFFAOYSA-N
XLogP2.34
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-[[N-ethyl-N'-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927691
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
CID 111226135
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111868342
1-ethyl-3-(3-methylbutyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110979182
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-pentylguanidine;hydroiodide
CID 111129674
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-pyrazol-1-ylethyl)guanidine
CID 111263073
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126008
1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110942411
1-ethyl-3-hexyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111161598
1-tert-butyl-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110967020
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138740
1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905288

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111568727) is 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is CCN/C(=N\CC(C)Cn1cccn1)NCCN1CCCCC1CC.
What is the InChIKey of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is QMOYCPHOJLFPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6/c1-4-18-9-6-7-12-24(18)14-11-21-19(20-5-2)22-15-17(3)16-25-13-8-10-23-25/h8,10,13,17-18H,4-7,9,11-12,14-16H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 348.54 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111568727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).