7-chloro-1-[1-(4-fluorophenyl)propyl]indazole

C16H14ClFN2 — CID 174511181

IUPAC7-chloro-1-[1-(4-fluorophenyl)propyl]indazole
SMILESCCC(c1ccc(F)cc1)n1ncc2cccc(Cl)c21
InChIInChI=1S/C16H14ClFN2/c1-2-15(11-6-8-13(18)9-7-11)20-16-12(10-19-20)4-3-5-14(16)17/h3-10,15H,2H2,1H3
InChIKeyISEJGZCUAKABOG-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.83
Rot. Bonds3

About 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole

7-chloro-1-[1-(4-fluorophenyl)propyl]indazole (PubChem CID 174511181) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole.

Molecular Properties

Compound Name7-chloro-1-[1-(4-fluorophenyl)propyl]indazole
PubChem CID174511181
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name7-chloro-1-[1-(4-fluorophenyl)propyl]indazole
SMILESCCC(c1ccc(F)cc1)n1ncc2cccc(Cl)c21
InChIInChI=1S/C16H14ClFN2/c1-2-15(11-6-8-13(18)9-7-11)20-16-12(10-19-20)4-3-5-14(16)17/h3-10,15H,2H2,1H3
InChIKeyISEJGZCUAKABOG-UHFFFAOYSA-N
XLogP4.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole?
The IUPAC name of 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole (CID 174511181) is 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole.
What is the SMILES notation for 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole?
The canonical SMILES for 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole is CCC(c1ccc(F)cc1)n1ncc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole?
The InChIKey is ISEJGZCUAKABOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-2-15(11-6-8-13(18)9-7-11)20-16-12(10-19-20)4-3-5-14(16)17/h3-10,15H,2H2,1H3.
What are the key properties of 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole?
7-chloro-1-[1-(4-fluorophenyl)propyl]indazole has a molecular weight of 288.75 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[1-(4-fluorophenyl)propyl]indazole is sourced from PubChem (CID 174511181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).