3-tert-butyl-2-phenylindazole

C17H18N2 — CID 21044962

IUPAC3-tert-butyl-2-phenylindazole
SMILESCC(C)(C)c1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C17H18N2/c1-17(2,3)16-14-11-7-8-12-15(14)18-19(16)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyYRDDLCXCSQBORC-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.32
Rot. Bonds1

About 3-tert-butyl-2-phenylindazole

3-tert-butyl-2-phenylindazole (PubChem CID 21044962) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-tert-butyl-2-phenylindazole.

Molecular Properties

Compound Name3-tert-butyl-2-phenylindazole
PubChem CID21044962
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name3-tert-butyl-2-phenylindazole
SMILESCC(C)(C)c1c2ccccc2nn1-c1ccccc1
InChIInChI=1S/C17H18N2/c1-17(2,3)16-14-11-7-8-12-15(14)18-19(16)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyYRDDLCXCSQBORC-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-2-phenylindazole
CID 25217909
2,3-ditert-butylindazole
CID 71288886
4-phenylcyclopenta[c]cinnoline
CID 12572463
3-benzyl-2-phenylindazole
CID 25217782
4-tert-butyl-2-phenylphthalazin-1-one
CID 134094588
1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
CID 71674113
2-(3-ethylphenyl)-3-phenylindazole
CID 169225849
methyl 4-bromo-5-tert-butyl-1-phenylpyrazole-3-carboxylate
CID 53263021
(5-tert-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200264
3,4-ditert-butyl-5-methyl-1-phenylpyrazole
CID 15349956
(4-chlorophenyl)-(2-phenylindazol-3-yl)methanone
CID 71481537
2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol
CID 71674212

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-phenylindazole?
The IUPAC name of 3-tert-butyl-2-phenylindazole (CID 21044962) is 3-tert-butyl-2-phenylindazole.
What is the SMILES notation for 3-tert-butyl-2-phenylindazole?
The canonical SMILES for 3-tert-butyl-2-phenylindazole is CC(C)(C)c1c2ccccc2nn1-c1ccccc1.
What is the InChIKey of 3-tert-butyl-2-phenylindazole?
The InChIKey is YRDDLCXCSQBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(2,3)16-14-11-7-8-12-15(14)18-19(16)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 3-tert-butyl-2-phenylindazole?
3-tert-butyl-2-phenylindazole has a molecular weight of 250.35 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-phenylindazole is sourced from PubChem (CID 21044962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).