1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine

C12H16N6 — CID 114250806

IUPAC1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine
SMILESCCn1ccc(/N=C(\NN)Nc2ccccc2)n1
InChIInChI=1S/C12H16N6/c1-2-18-9-8-11(17-18)15-12(16-13)14-10-6-4-3-5-7-10/h3-9H,2,13H2,1H3,(H2,14,15,16,17)
InChIKeyGFFJAIJCUGTJSO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.47
Rot. Bonds3

About 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine

1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine (PubChem CID 114250806) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine
PubChem CID114250806
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine
SMILESCCn1ccc(/N=C(\NN)Nc2ccccc2)n1
InChIInChI=1S/C12H16N6/c1-2-18-9-8-11(17-18)15-12(16-13)14-10-6-4-3-5-7-10/h3-9H,2,13H2,1H3,(H2,14,15,16,17)
InChIKeyGFFJAIJCUGTJSO-UHFFFAOYSA-N
XLogP1.47
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine (CID 114250806) is 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine is CCn1ccc(/N=C(\NN)Nc2ccccc2)n1.
What is the InChIKey of 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine?
The InChIKey is GFFJAIJCUGTJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-2-18-9-8-11(17-18)15-12(16-13)14-10-6-4-3-5-7-10/h3-9H,2,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine?
1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine has a molecular weight of 244.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-ethylpyrazol-3-yl)-3-phenylguanidine is sourced from PubChem (CID 114250806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).