5-(2-tert-butyl-4-pyridinyl)-1H-indazole

C16H17N3 — CID 58588587

IUPAC5-(2-tert-butyl-4-pyridinyl)-1H-indazole
SMILESCC(C)(C)c1cc(-c2ccc3[nH]ncc3c2)ccn1
InChIInChI=1S/C16H17N3/c1-16(2,3)15-9-12(6-7-17-15)11-4-5-14-13(8-11)10-18-19-14/h4-10H,1-3H3,(H,18,19)
InChIKeyRVSRTTOFDKUXMG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.92
Rot. Bonds1

About 5-(2-tert-butyl-4-pyridinyl)-1H-indazole

5-(2-tert-butyl-4-pyridinyl)-1H-indazole (PubChem CID 58588587) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-pyridinyl)-1H-indazole.

Molecular Properties

Compound Name5-(2-tert-butyl-4-pyridinyl)-1H-indazole
PubChem CID58588587
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name5-(2-tert-butyl-4-pyridinyl)-1H-indazole
SMILESCC(C)(C)c1cc(-c2ccc3[nH]ncc3c2)ccn1
InChIInChI=1S/C16H17N3/c1-16(2,3)15-9-12(6-7-17-15)11-4-5-14-13(8-11)10-18-19-14/h4-10H,1-3H3,(H,18,19)
InChIKeyRVSRTTOFDKUXMG-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-pyridinyl)-1H-indazole?
The IUPAC name of 5-(2-tert-butyl-4-pyridinyl)-1H-indazole (CID 58588587) is 5-(2-tert-butyl-4-pyridinyl)-1H-indazole.
What is the SMILES notation for 5-(2-tert-butyl-4-pyridinyl)-1H-indazole?
The canonical SMILES for 5-(2-tert-butyl-4-pyridinyl)-1H-indazole is CC(C)(C)c1cc(-c2ccc3[nH]ncc3c2)ccn1.
What is the InChIKey of 5-(2-tert-butyl-4-pyridinyl)-1H-indazole?
The InChIKey is RVSRTTOFDKUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(2,3)15-9-12(6-7-17-15)11-4-5-14-13(8-11)10-18-19-14/h4-10H,1-3H3,(H,18,19).
What are the key properties of 5-(2-tert-butyl-4-pyridinyl)-1H-indazole?
5-(2-tert-butyl-4-pyridinyl)-1H-indazole has a molecular weight of 251.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-pyridinyl)-1H-indazole is sourced from PubChem (CID 58588587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).