1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

C16H27F3N6 — CID 111915425

IUPAC1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESCCN/C(=N\CC(C)Cn1cccn1)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H27F3N6/c1-3-20-15(21-9-13(2)10-25-7-4-6-22-25)23-14-5-8-24(11-14)12-16(17,18)19/h4,6-7,13-14H,3,5,8-12H2,1-2H3,(H2,20,21,23)
InChIKeyPIKOCHSDEUOMGA-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.71
Rot. Bonds7

About 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine

1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (PubChem CID 111915425) has the molecular formula C16H27F3N6 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
PubChem CID111915425
Molecular FormulaC16H27F3N6
Molecular Weight360.43 g/mol
Exact Mass360.22
IUPAC Name1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
SMILESCCN/C(=N\CC(C)Cn1cccn1)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H27F3N6/c1-3-20-15(21-9-13(2)10-25-7-4-6-22-25)23-14-5-8-24(11-14)12-16(17,18)19/h4,6-7,13-14H,3,5,8-12H2,1-2H3,(H2,20,21,23)
InChIKeyPIKOCHSDEUOMGA-UHFFFAOYSA-N
XLogP1.71
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.71
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'}

Analyze 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]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

1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111904879
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111851043
1-ethyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111924063
1-ethyl-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111863855
ethyl 4-[[N-ethyl-N'-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327959
1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111993889
1-(cyclopropylmethyl)-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111868342
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111915166
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111715294
1-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915171
1-tert-butyl-3-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110967020
1-ethyl-2-(2-hydroxy-3-phenylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111994194

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine (CID 111915425) is 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is CCN/C(=N\CC(C)Cn1cccn1)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
The InChIKey is PIKOCHSDEUOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N6/c1-3-20-15(21-9-13(2)10-25-7-4-6-22-25)23-14-5-8-24(11-14)12-16(17,18)19/h4,6-7,13-14H,3,5,8-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine?
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine has a molecular weight of 360.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine is sourced from PubChem (CID 111915425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).