2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

C11H11FN4OS — CID 119055647

IUPAC2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N/N=C/c1ccc(F)s1
InChIInChI=1S/C11H11FN4OS/c1-2-16-9(5-6-14-16)11(17)15-13-7-8-3-4-10(12)18-8/h3-7H,2H2,1H3,(H,15,17)/b13-7+
InChIKeyMETWJFJHMNVDLO-NTUHNPAUSA-N
MW266.30 g/mol
LogP1.87
Rot. Bonds4

About 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide (PubChem CID 119055647) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
PubChem CID119055647
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)N/N=C/c1ccc(F)s1
InChIInChI=1S/C11H11FN4OS/c1-2-16-9(5-6-14-16)11(17)15-13-7-8-3-4-10(12)18-8/h3-7H,2H2,1H3,(H,15,17)/b13-7+
InChIKeyMETWJFJHMNVDLO-NTUHNPAUSA-N
XLogP1.87
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide (CID 119055647) is 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide is CCn1nccc1C(=O)N/N=C/c1ccc(F)s1.
What is the InChIKey of 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
The InChIKey is METWJFJHMNVDLO-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-2-16-9(5-6-14-16)11(17)15-13-7-8-3-4-10(12)18-8/h3-7H,2H2,1H3,(H,15,17)/b13-7+.
What are the key properties of 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 119055647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).