2-(1-ethylpyrazol-4-yl)-4-fluoropyridine

C10H10FN3 — CID 102824444

IUPAC2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
SMILESCCn1cc(-c2cc(F)ccn2)cn1
InChIInChI=1S/C10H10FN3/c1-2-14-7-8(6-13-14)10-5-9(11)3-4-12-10/h3-7H,2H2,1H3
InChIKeyVGEWSOXKZASMCJ-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.10
Rot. Bonds2

About 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine

2-(1-ethylpyrazol-4-yl)-4-fluoropyridine (PubChem CID 102824444) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
PubChem CID102824444
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
SMILESCCn1cc(-c2cc(F)ccn2)cn1
InChIInChI=1S/C10H10FN3/c1-2-14-7-8(6-13-14)10-5-9(11)3-4-12-10/h3-7H,2H2,1H3
InChIKeyVGEWSOXKZASMCJ-UHFFFAOYSA-N
XLogP2.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine (CID 102824444) is 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine is CCn1cc(-c2cc(F)ccn2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine?
The InChIKey is VGEWSOXKZASMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-2-14-7-8(6-13-14)10-5-9(11)3-4-12-10/h3-7H,2H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine?
2-(1-ethylpyrazol-4-yl)-4-fluoropyridine has a molecular weight of 191.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-4-fluoropyridine is sourced from PubChem (CID 102824444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).