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

C12H16N2 — CID 134492253

IUPAC5-tert-butyl-4-methyl-1H-indazole
SMILESCc1c(C(C)(C)C)ccc2[nH]ncc12
InChIInChI=1S/C12H16N2/c1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyIIKCBQKYRSALNR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.17
Rot. Bonds

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

5-tert-butyl-4-methyl-1H-indazole (PubChem CID 134492253) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-tert-butyl-4-methyl-1H-indazole.

Molecular Properties

Compound Name5-tert-butyl-4-methyl-1H-indazole
PubChem CID134492253
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-tert-butyl-4-methyl-1H-indazole
SMILESCc1c(C(C)(C)C)ccc2[nH]ncc12
InChIInChI=1S/C12H16N2/c1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyIIKCBQKYRSALNR-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methyl-1H-indazole?
The IUPAC name of 5-tert-butyl-4-methyl-1H-indazole (CID 134492253) is 5-tert-butyl-4-methyl-1H-indazole.
What is the SMILES notation for 5-tert-butyl-4-methyl-1H-indazole?
The canonical SMILES for 5-tert-butyl-4-methyl-1H-indazole is Cc1c(C(C)(C)C)ccc2[nH]ncc12.
What is the InChIKey of 5-tert-butyl-4-methyl-1H-indazole?
The InChIKey is IIKCBQKYRSALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4/h5-7H,1-4H3,(H,13,14).
What are the key properties of 5-tert-butyl-4-methyl-1H-indazole?
5-tert-butyl-4-methyl-1H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methyl-1H-indazole is sourced from PubChem (CID 134492253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).