4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole

C11H11FN2 — CID 141207827

IUPAC4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole
SMILESFc1ccc(CCc2cn[nH]c2)cc1
InChIInChI=1S/C11H11FN2/c12-11-5-3-9(4-6-11)1-2-10-7-13-14-8-10/h3-8H,1-2H2,(H,13,14)
InChIKeyJWXGFCGHCKVJDS-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.33
Rot. Bonds3

About 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole

4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole (PubChem CID 141207827) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole
PubChem CID141207827
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole
SMILESFc1ccc(CCc2cn[nH]c2)cc1
InChIInChI=1S/C11H11FN2/c12-11-5-3-9(4-6-11)1-2-10-7-13-14-8-10/h3-8H,1-2H2,(H,13,14)
InChIKeyJWXGFCGHCKVJDS-UHFFFAOYSA-N
XLogP2.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole (CID 141207827) is 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole is Fc1ccc(CCc2cn[nH]c2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole?
The InChIKey is JWXGFCGHCKVJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2/c12-11-5-3-9(4-6-11)1-2-10-7-13-14-8-10/h3-8H,1-2H2,(H,13,14).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole?
4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole has a molecular weight of 190.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole is sourced from PubChem (CID 141207827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).