2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide

C13H16N4 — CID 121213805

IUPAC2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(CC)nc1-c1ccccc1
InChIInChI=1S/C13H16N4/c1-2-17-9-11(8-12(14)15)13(16-17)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,14,15)
InChIKeyNNZBCOWHTCWVNP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.05
Rot. Bonds4

About 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide

2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide (PubChem CID 121213805) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide
PubChem CID121213805
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cn(CC)nc1-c1ccccc1
InChIInChI=1S/C13H16N4/c1-2-17-9-11(8-12(14)15)13(16-17)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,14,15)
InChIKeyNNZBCOWHTCWVNP-UHFFFAOYSA-N
XLogP2.05
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.05
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'}

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Related Compounds

2-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)ethanimidamide
CID 121213813
2-(1-methyl-3-thiophen-3-ylpyrazol-4-yl)ethanimidamide
CID 121213824
2-phenylethanimidamide
CID 27787
[1-(2-methylpropyl)-3-phenylpyrazol-4-yl]methanamine
CID 121213567
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147
2-[5-chloro-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethanimidamide;hydrochloride
CID 21418346
1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine
CID 110028940
1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213633
2-[(1-methyl-3-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110028939
2-(1-phenylpyrazol-4-yl)ethanimidamide
CID 83880704
ethane;4-phenylbenzenecarboximidamide
CID 91221015

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide?
The IUPAC name of 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide (CID 121213805) is 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cn(CC)nc1-c1ccccc1.
What is the InChIKey of 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide?
The InChIKey is NNZBCOWHTCWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-17-9-11(8-12(14)15)13(16-17)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H3,14,15).
What are the key properties of 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide?
2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide has a molecular weight of 228.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-phenylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 121213805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).