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

C17H25N5 — CID 111126696

IUPAC1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\CCc1cnn(-c2ccccc2)c1)NC(C)C
InChIInChI=1S/C17H25N5/c1-4-18-17(21-14(2)3)19-11-10-15-12-20-22(13-15)16-8-6-5-7-9-16/h5-9,12-14H,4,10-11H2,1-3H3,(H2,18,19,21)
InChIKeyUBMMYGLXEGCEDI-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.38
Rot. Bonds6

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

1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine (PubChem CID 111126696) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine
PubChem CID111126696
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine
SMILESCCN/C(=N\CCc1cnn(-c2ccccc2)c1)NC(C)C
InChIInChI=1S/C17H25N5/c1-4-18-17(21-14(2)3)19-11-10-15-12-20-22(13-15)16-8-6-5-7-9-16/h5-9,12-14H,4,10-11H2,1-3H3,(H2,18,19,21)
InChIKeyUBMMYGLXEGCEDI-UHFFFAOYSA-N
XLogP2.38
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine 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-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111123785
1-ethyl-3-(1-phenylethyl)-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950059
1-cyclohexyl-3-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 110959175
1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-propylguanidine
CID 111225629
2-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylguanidine
CID 111125787
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125439
1,3-diethyl-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 75406975
N-ethyl-N'-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956679
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111237176
2-(2-ethoxyethyl)-1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111894812
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-phenylethyl)guanidine
CID 110949474
1-ethyl-3-(2-phenylethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111134041

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine?
The IUPAC name of 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine (CID 111126696) is 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine is CCN/C(=N\CCc1cnn(-c2ccccc2)c1)NC(C)C.
What is the InChIKey of 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine?
The InChIKey is UBMMYGLXEGCEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-18-17(21-14(2)3)19-11-10-15-12-20-22(13-15)16-8-6-5-7-9-16/h5-9,12-14H,4,10-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine?
1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine has a molecular weight of 299.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylguanidine is sourced from PubChem (CID 111126696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).