5-butan-2-yl-6-methyl-1H-indazole

C12H16N2 — CID 177150098

IUPAC5-butan-2-yl-6-methyl-1H-indazole
SMILESCCC(C)c1cc2cn[nH]c2cc1C
InChIInChI=1S/C12H16N2/c1-4-8(2)11-6-10-7-13-14-12(10)5-9(11)3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyOLIOWZNOSHGFRK-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.38
Rot. Bonds2

About 5-butan-2-yl-6-methyl-1H-indazole

5-butan-2-yl-6-methyl-1H-indazole (PubChem CID 177150098) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-butan-2-yl-6-methyl-1H-indazole.

Molecular Properties

Compound Name5-butan-2-yl-6-methyl-1H-indazole
PubChem CID177150098
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name5-butan-2-yl-6-methyl-1H-indazole
SMILESCCC(C)c1cc2cn[nH]c2cc1C
InChIInChI=1S/C12H16N2/c1-4-8(2)11-6-10-7-13-14-12(10)5-9(11)3/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyOLIOWZNOSHGFRK-UHFFFAOYSA-N
XLogP3.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
2,3-dihydroxy-3-(6-methyl-1H-indazol-5-yl)propanenitrile
CID 171870436
5,6-diethyl-1H-indazole
CID 123175477
5-methyl-1H-indazol-6-ol
CID 135742461
N-[3,4-dihydroxy-4-(6-methyl-1H-indazol-5-yl)butyl]acetamide
CID 171883255
5-butan-2-yl-4-tert-butyl-6-methyl-1H-indazole
CID 177150277
4-butan-2-yl-6-chloro-5-methyl-1H-indazole
CID 177000627
5-fluoro-6-propyl-1H-indazole
CID 91027618
N-(5-methylheptan-3-yl)-1H-indazol-6-amine
CID 43743481
4-butan-2-yl-6-(2-methoxyethoxy)-1H-indazole
CID 167286380
N-ethyl-N-methyl-N'-(6-methyl-1H-indazol-5-yl)methanimidamide
CID 67447570
(5-ethyl-1H-indazol-6-yl)boronic acid
CID 175075501

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-methyl-1H-indazole?
The IUPAC name of 5-butan-2-yl-6-methyl-1H-indazole (CID 177150098) is 5-butan-2-yl-6-methyl-1H-indazole.
What is the SMILES notation for 5-butan-2-yl-6-methyl-1H-indazole?
The canonical SMILES for 5-butan-2-yl-6-methyl-1H-indazole is CCC(C)c1cc2cn[nH]c2cc1C.
What is the InChIKey of 5-butan-2-yl-6-methyl-1H-indazole?
The InChIKey is OLIOWZNOSHGFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-8(2)11-6-10-7-13-14-12(10)5-9(11)3/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 5-butan-2-yl-6-methyl-1H-indazole?
5-butan-2-yl-6-methyl-1H-indazole has a molecular weight of 188.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-methyl-1H-indazole is sourced from PubChem (CID 177150098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).