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

C17H25N5 — CID 111225629

IUPAC1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H25N5/c1-3-11-19-17(18-4-2)20-12-10-15-13-21-22(14-15)16-8-6-5-7-9-16/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyZGMWISZZYWXVRP-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.38
Rot. Bonds7

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

1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine (PubChem CID 111225629) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine
PubChem CID111225629
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H25N5/c1-3-11-19-17(18-4-2)20-12-10-15-13-21-22(14-15)16-8-6-5-7-9-16/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,18,19,20)
InChIKeyZGMWISZZYWXVRP-UHFFFAOYSA-N
XLogP2.38
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.38
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-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-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

2-(2-ethoxyethyl)-1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111894812
1-ethyl-3-(2-phenylethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111134041
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111611838
1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111938837
1-ethyl-2-[(2-methylpyrazol-3-yl)methyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111953431
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111713300
1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine
CID 111126696
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
1-ethyl-2-[(5-methylthiophen-2-yl)methyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111897757
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111708293
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111147741
1-ethyl-3-[2-(3-fluorophenyl)ethyl]-2-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111394744

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine?
The IUPAC name of 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine (CID 111225629) is 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine?
The canonical SMILES for 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine is CCC/N=C(\NCC)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine?
The InChIKey is ZGMWISZZYWXVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-3-11-19-17(18-4-2)20-12-10-15-13-21-22(14-15)16-8-6-5-7-9-16/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine?
1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine has a molecular weight of 299.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine is sourced from PubChem (CID 111225629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).