1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide

C10H11FN6 — CID 121211002

IUPAC1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cnccn2)nn1CCF
InChIInChI=1S/C10H11FN6/c11-1-4-17-9(10(12)13)5-7(16-17)8-6-14-2-3-15-8/h2-3,5-6H,1,4H2,(H3,12,13)
InChIKeyYZHNRYBEDQPUKU-UHFFFAOYSA-N
MW234.24 g/mol
LogP0.59
Rot. Bonds4

About 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide

1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide (PubChem CID 121211002) has the molecular formula C10H11FN6 and a molecular weight of 234.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide
PubChem CID121211002
Molecular FormulaC10H11FN6
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2cnccn2)nn1CCF
InChIInChI=1S/C10H11FN6/c11-1-4-17-9(10(12)13)5-7(16-17)8-6-14-2-3-15-8/h2-3,5-6H,1,4H2,(H3,12,13)
InChIKeyYZHNRYBEDQPUKU-UHFFFAOYSA-N
XLogP0.59
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210917
2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
CID 121214164
1-methyl-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210914
2-(6-pyrazin-2-ylimidazo[2,1-e]pyrazol-1-yl)ethanol
CID 121214931
1-(difluoromethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
CID 121210919
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
4-(benzenecarboximidoyl)-6-pyrazin-2-ylpyridin-3-amine
CID 144529735
2-[1-(2-fluoroethyl)-3-pyridin-2-ylpyrazol-5-yl]ethanamine
CID 121210777
2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
CID 121211870
1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86679010
1-ethyl-6-pyrazin-2-ylimidazo[2,1-e]pyrazole
CID 121214927
2-[5-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-prop-2-ynylpyrazol-3-yl]pyrazine
CID 171111487

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide?
The IUPAC name of 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide (CID 121211002) is 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide.
What is the SMILES notation for 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide?
The canonical SMILES for 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2cnccn2)nn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide?
The InChIKey is YZHNRYBEDQPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6/c11-1-4-17-9(10(12)13)5-7(16-17)8-6-14-2-3-15-8/h2-3,5-6H,1,4H2,(H3,12,13).
What are the key properties of 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide?
1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide has a molecular weight of 234.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-pyrazin-2-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 121211002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).