1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine

C13H25N5 — CID 111226135

IUPAC1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
SMILESCCCN/C(=N/CC(C)Cn1cccn1)NCC
InChIInChI=1S/C13H25N5/c1-4-7-15-13(14-5-2)16-10-12(3)11-18-9-6-8-17-18/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H2,14,15,16)
InChIKeyRRGONIHEBRYBIL-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.48
Rot. Bonds7

About 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine

1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine (PubChem CID 111226135) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
PubChem CID111226135
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine
SMILESCCCN/C(=N/CC(C)Cn1cccn1)NCC
InChIInChI=1S/C13H25N5/c1-4-7-15-13(14-5-2)16-10-12(3)11-18-9-6-8-17-18/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H2,14,15,16)
InChIKeyRRGONIHEBRYBIL-UHFFFAOYSA-N
XLogP1.48
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.48
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'}

Analyze 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine 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

1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-pentylguanidine;hydroiodide
CID 111129674
1-ethyl-3-hexyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111161598
1-ethyl-3-(3-methylbutyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110979182
1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110942411
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-propan-2-ylguanidine;hydroiodide
CID 111126008
N-[2-[[N-ethyl-N'-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927691
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111868342
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198913
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111568727
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109408465
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine (CID 111226135) is 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine is CCCN/C(=N/CC(C)Cn1cccn1)NCC.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine?
The InChIKey is RRGONIHEBRYBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-7-15-13(14-5-2)16-10-12(3)11-18-9-6-8-17-18/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine?
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine has a molecular weight of 251.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propylguanidine is sourced from PubChem (CID 111226135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).