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

C11H12N4 — CID 83880704

IUPAC2-(1-phenylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H12N4/c12-11(13)6-9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H3,12,13)
InChIKeyKVIRXEFKSTYTCZ-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.35
Rot. Bonds3

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

2-(1-phenylpyrazol-4-yl)ethanimidamide (PubChem CID 83880704) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)ethanimidamide
PubChem CID83880704
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(1-phenylpyrazol-4-yl)ethanimidamide
SMILES[H]/N=C(\N)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H12N4/c12-11(13)6-9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H3,12,13)
InChIKeyKVIRXEFKSTYTCZ-UHFFFAOYSA-N
XLogP1.35
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.35
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

1-phenylpyrazole-4-carboximidamide
CID 43140235
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
2-phenylethanimidamide
CID 27787
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
2-[[2-[(1-phenylpyrazol-4-yl)methyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82558446
2-(1-tert-butylpyrazol-4-yl)ethanimidamide
CID 164645081
[(1R)-2-amino-2-oxo-1-phenylethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935657
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
1-phenyl-4-propylpyrazole
CID 12902534
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)ethanimidamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)ethanimidamide (CID 83880704) is 2-(1-phenylpyrazol-4-yl)ethanimidamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)ethanimidamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)ethanimidamide is [H]/N=C(\N)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)ethanimidamide?
The InChIKey is KVIRXEFKSTYTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-11(13)6-9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H3,12,13).
What are the key properties of 2-(1-phenylpyrazol-4-yl)ethanimidamide?
2-(1-phenylpyrazol-4-yl)ethanimidamide has a molecular weight of 200.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)ethanimidamide is sourced from PubChem (CID 83880704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).