7-tert-butyl-5-chloro-6-methyl-1H-indazole

C12H15ClN2 — CID 176638883

IUPAC7-tert-butyl-5-chloro-6-methyl-1H-indazole
SMILESCc1c(Cl)cc2cn[nH]c2c1C(C)(C)C
InChIInChI=1S/C12H15ClN2/c1-7-9(13)5-8-6-14-15-11(8)10(7)12(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyLQJTYUFSGLHFCZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.82
Rot. Bonds

About 7-tert-butyl-5-chloro-6-methyl-1H-indazole

7-tert-butyl-5-chloro-6-methyl-1H-indazole (PubChem CID 176638883) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 7-tert-butyl-5-chloro-6-methyl-1H-indazole.

Molecular Properties

Compound Name7-tert-butyl-5-chloro-6-methyl-1H-indazole
PubChem CID176638883
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name7-tert-butyl-5-chloro-6-methyl-1H-indazole
SMILESCc1c(Cl)cc2cn[nH]c2c1C(C)(C)C
InChIInChI=1S/C12H15ClN2/c1-7-9(13)5-8-6-14-15-11(8)10(7)12(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyLQJTYUFSGLHFCZ-UHFFFAOYSA-N
XLogP3.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-chloro-6-methyl-1H-indazole?
The IUPAC name of 7-tert-butyl-5-chloro-6-methyl-1H-indazole (CID 176638883) is 7-tert-butyl-5-chloro-6-methyl-1H-indazole.
What is the SMILES notation for 7-tert-butyl-5-chloro-6-methyl-1H-indazole?
The canonical SMILES for 7-tert-butyl-5-chloro-6-methyl-1H-indazole is Cc1c(Cl)cc2cn[nH]c2c1C(C)(C)C.
What is the InChIKey of 7-tert-butyl-5-chloro-6-methyl-1H-indazole?
The InChIKey is LQJTYUFSGLHFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-7-9(13)5-8-6-14-15-11(8)10(7)12(2,3)4/h5-6H,1-4H3,(H,14,15).
What are the key properties of 7-tert-butyl-5-chloro-6-methyl-1H-indazole?
7-tert-butyl-5-chloro-6-methyl-1H-indazole has a molecular weight of 222.72 g/mol, XLogP of 3.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-chloro-6-methyl-1H-indazole is sourced from PubChem (CID 176638883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).