1-tert-butyl-3-(3-fluorophenyl)indazole

C17H17FN2 — CID 134955024

IUPAC1-tert-butyl-3-(3-fluorophenyl)indazole
SMILESCC(C)(C)n1nc(-c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H17FN2/c1-17(2,3)20-15-10-5-4-9-14(15)16(19-20)12-7-6-8-13(18)11-12/h4-11H,1-3H3
InChIKeyNODQUCOLBUCYML-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.60
Rot. Bonds1

About 1-tert-butyl-3-(3-fluorophenyl)indazole

1-tert-butyl-3-(3-fluorophenyl)indazole (PubChem CID 134955024) has the molecular formula C17H17FN2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-fluorophenyl)indazole.

Molecular Properties

Compound Name1-tert-butyl-3-(3-fluorophenyl)indazole
PubChem CID134955024
Molecular FormulaC17H17FN2
Molecular Weight268.33 g/mol
Exact Mass268.14
IUPAC Name1-tert-butyl-3-(3-fluorophenyl)indazole
SMILESCC(C)(C)n1nc(-c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H17FN2/c1-17(2,3)20-15-10-5-4-9-14(15)16(19-20)12-7-6-8-13(18)11-12/h4-11H,1-3H3
InChIKeyNODQUCOLBUCYML-UHFFFAOYSA-N
XLogP4.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-fluorophenyl)indazole?
The IUPAC name of 1-tert-butyl-3-(3-fluorophenyl)indazole (CID 134955024) is 1-tert-butyl-3-(3-fluorophenyl)indazole.
What is the SMILES notation for 1-tert-butyl-3-(3-fluorophenyl)indazole?
The canonical SMILES for 1-tert-butyl-3-(3-fluorophenyl)indazole is CC(C)(C)n1nc(-c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 1-tert-butyl-3-(3-fluorophenyl)indazole?
The InChIKey is NODQUCOLBUCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-17(2,3)20-15-10-5-4-9-14(15)16(19-20)12-7-6-8-13(18)11-12/h4-11H,1-3H3.
What are the key properties of 1-tert-butyl-3-(3-fluorophenyl)indazole?
1-tert-butyl-3-(3-fluorophenyl)indazole has a molecular weight of 268.33 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-fluorophenyl)indazole is sourced from PubChem (CID 134955024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).