4-tert-butyl-5-ethyl-1H-indazole

C13H18N2 — CID 145378241

IUPAC4-tert-butyl-5-ethyl-1H-indazole
SMILESCCc1ccc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C13H18N2/c1-5-9-6-7-11-10(8-14-15-11)12(9)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyVVSFAJGVXDPFGM-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.42
Rot. Bonds1

About 4-tert-butyl-5-ethyl-1H-indazole

4-tert-butyl-5-ethyl-1H-indazole (PubChem CID 145378241) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-1H-indazole.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-1H-indazole
PubChem CID145378241
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-tert-butyl-5-ethyl-1H-indazole
SMILESCCc1ccc2[nH]ncc2c1C(C)(C)C
InChIInChI=1S/C13H18N2/c1-5-9-6-7-11-10(8-14-15-11)12(9)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyVVSFAJGVXDPFGM-UHFFFAOYSA-N
XLogP3.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 170548587
5-tert-butyl-4-methyl-1H-indazole
CID 134492253
(4-methyl-1H-indazol-5-yl)methanol
CID 170907385
5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
CID 177150277
7-tert-butyl-6-methyl-3-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]-2H-indazole
CID 126494248
4-tert-butyl-5-methyl-1-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]indazole
CID 166881444
4-tert-butyl-5-methyl-1H-indazole;4-tert-butylnaphthalen-2-ol
CID 162239352
5,6-diethyl-1H-indazole
CID 123175477
5-chloro-6-fluoro-4-(2-methylbutan-2-yl)-1H-indazole
CID 170282210
4-(2-methylbut-3-en-2-yl)-1H-indazole
CID 123509900
5-chloro-4-propan-2-yl-1H-indazole
CID 130218938
2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
CID 11243390

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-1H-indazole?
The IUPAC name of 4-tert-butyl-5-ethyl-1H-indazole (CID 145378241) is 4-tert-butyl-5-ethyl-1H-indazole.
What is the SMILES notation for 4-tert-butyl-5-ethyl-1H-indazole?
The canonical SMILES for 4-tert-butyl-5-ethyl-1H-indazole is CCc1ccc2[nH]ncc2c1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethyl-1H-indazole?
The InChIKey is VVSFAJGVXDPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-9-6-7-11-10(8-14-15-11)12(9)13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 4-tert-butyl-5-ethyl-1H-indazole?
4-tert-butyl-5-ethyl-1H-indazole has a molecular weight of 202.30 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-1H-indazole is sourced from PubChem (CID 145378241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).