5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole

C18H21FN2 — CID 134392758

IUPAC5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole
SMILESCC(C)(C)c1ccc2c(c1)CNN2Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2/c1-18(2,3)15-7-8-17-14(10-15)11-20-21(17)12-13-5-4-6-16(19)9-13/h4-10,20H,11-12H2,1-3H3
InChIKeyOIBBPFKDUUZWQV-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.15
Rot. Bonds2

About 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole

5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole (PubChem CID 134392758) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole.

Molecular Properties

Compound Name5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole
PubChem CID134392758
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole
SMILESCC(C)(C)c1ccc2c(c1)CNN2Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2/c1-18(2,3)15-7-8-17-14(10-15)11-20-21(17)12-13-5-4-6-16(19)9-13/h4-10,20H,11-12H2,1-3H3
InChIKeyOIBBPFKDUUZWQV-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole?
The IUPAC name of 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole (CID 134392758) is 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole.
What is the SMILES notation for 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole?
The canonical SMILES for 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole is CC(C)(C)c1ccc2c(c1)CNN2Cc1cccc(F)c1.
What is the InChIKey of 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole?
The InChIKey is OIBBPFKDUUZWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-18(2,3)15-7-8-17-14(10-15)11-20-21(17)12-13-5-4-6-16(19)9-13/h4-10,20H,11-12H2,1-3H3.
What are the key properties of 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole?
5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole has a molecular weight of 284.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(3-fluorophenyl)methyl]-2,3-dihydroindazole is sourced from PubChem (CID 134392758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).