3-[2-(4-fluorophenyl)ethyl]-2H-indazole

C15H13FN2 — CID 141075671

IUPAC3-[2-(4-fluorophenyl)ethyl]-2H-indazole
SMILESFc1ccc(CCc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C15H13FN2/c16-12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h1-6,8-9H,7,10H2,(H,17,18)
InChIKeyCFPVPBNSRDPSFY-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.49
Rot. Bonds3

About 3-[2-(4-fluorophenyl)ethyl]-2H-indazole

3-[2-(4-fluorophenyl)ethyl]-2H-indazole (PubChem CID 141075671) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-2H-indazole.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-2H-indazole
PubChem CID141075671
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-2H-indazole
SMILESFc1ccc(CCc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C15H13FN2/c16-12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h1-6,8-9H,7,10H2,(H,17,18)
InChIKeyCFPVPBNSRDPSFY-UHFFFAOYSA-N
XLogP3.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-2H-indazole?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-2H-indazole (CID 141075671) is 3-[2-(4-fluorophenyl)ethyl]-2H-indazole.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-2H-indazole?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-2H-indazole is Fc1ccc(CCc2[nH]nc3ccccc23)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-2H-indazole?
The InChIKey is CFPVPBNSRDPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h1-6,8-9H,7,10H2,(H,17,18).
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-2H-indazole?
3-[2-(4-fluorophenyl)ethyl]-2H-indazole has a molecular weight of 240.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-2H-indazole is sourced from PubChem (CID 141075671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).