1-(2-fluoroethyl)-4-phenylpyrazole

C11H11FN2 — CID 23381768

IUPAC1-(2-fluoroethyl)-4-phenylpyrazole
SMILESFCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C11H11FN2/c12-6-7-14-9-11(8-13-14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyBOUMEQNLSZOMMS-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-fluoroethyl)-4-phenylpyrazole

1-(2-fluoroethyl)-4-phenylpyrazole (PubChem CID 23381768) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-phenylpyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-phenylpyrazole
PubChem CID23381768
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-(2-fluoroethyl)-4-phenylpyrazole
SMILESFCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C11H11FN2/c12-6-7-14-9-11(8-13-14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyBOUMEQNLSZOMMS-UHFFFAOYSA-N
XLogP2.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-phenylpyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-phenylpyrazole (CID 23381768) is 1-(2-fluoroethyl)-4-phenylpyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-phenylpyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-phenylpyrazole is FCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-4-phenylpyrazole?
The InChIKey is BOUMEQNLSZOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-6-7-14-9-11(8-13-14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 1-(2-fluoroethyl)-4-phenylpyrazole?
1-(2-fluoroethyl)-4-phenylpyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-phenylpyrazole is sourced from PubChem (CID 23381768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).