1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide

C11H12FN5 — CID 121210917

IUPAC1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccncc2)nn1CCF
InChIInChI=1S/C11H12FN5/c12-3-6-17-10(11(13)14)7-9(16-17)8-1-4-15-5-2-8/h1-2,4-5,7H,3,6H2,(H3,13,14)
InChIKeyUZBLMLRCLUJCFL-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.20
Rot. Bonds4

About 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide

1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide (PubChem CID 121210917) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
PubChem CID121210917
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccncc2)nn1CCF
InChIInChI=1S/C11H12FN5/c12-3-6-17-10(11(13)14)7-9(16-17)8-1-4-15-5-2-8/h1-2,4-5,7H,3,6H2,(H3,13,14)
InChIKeyUZBLMLRCLUJCFL-UHFFFAOYSA-N
XLogP1.20
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
The IUPAC name of 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide (CID 121210917) is 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide.
What is the SMILES notation for 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
The canonical SMILES for 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide is [H]/N=C(\N)c1cc(-c2ccncc2)nn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
The InChIKey is UZBLMLRCLUJCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c12-3-6-17-10(11(13)14)7-9(16-17)8-1-4-15-5-2-8/h1-2,4-5,7H,3,6H2,(H3,13,14).
What are the key properties of 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide?
1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide has a molecular weight of 233.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-pyridin-4-ylpyrazole-5-carboximidamide is sourced from PubChem (CID 121210917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).