5-(2-tert-butylphenyl)-1H-indazole

C17H18N2 — CID 90645446

IUPAC5-(2-tert-butylphenyl)-1H-indazole
SMILESCC(C)(C)c1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H18N2/c1-17(2,3)15-7-5-4-6-14(15)12-8-9-16-13(10-12)11-18-19-16/h4-11H,1-3H3,(H,18,19)
InChIKeyCISHPMUQLTYQDL-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.53
Rot. Bonds1

About 5-(2-tert-butylphenyl)-1H-indazole

5-(2-tert-butylphenyl)-1H-indazole (PubChem CID 90645446) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(2-tert-butylphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(2-tert-butylphenyl)-1H-indazole
PubChem CID90645446
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name5-(2-tert-butylphenyl)-1H-indazole
SMILESCC(C)(C)c1ccccc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H18N2/c1-17(2,3)15-7-5-4-6-14(15)12-8-9-16-13(10-12)11-18-19-16/h4-11H,1-3H3,(H,18,19)
InChIKeyCISHPMUQLTYQDL-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylphenyl)-1H-indazole?
The IUPAC name of 5-(2-tert-butylphenyl)-1H-indazole (CID 90645446) is 5-(2-tert-butylphenyl)-1H-indazole.
What is the SMILES notation for 5-(2-tert-butylphenyl)-1H-indazole?
The canonical SMILES for 5-(2-tert-butylphenyl)-1H-indazole is CC(C)(C)c1ccccc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(2-tert-butylphenyl)-1H-indazole?
The InChIKey is CISHPMUQLTYQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-17(2,3)15-7-5-4-6-14(15)12-8-9-16-13(10-12)11-18-19-16/h4-11H,1-3H3,(H,18,19).
What are the key properties of 5-(2-tert-butylphenyl)-1H-indazole?
5-(2-tert-butylphenyl)-1H-indazole has a molecular weight of 250.35 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylphenyl)-1H-indazole is sourced from PubChem (CID 90645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).