6-butan-2-yl-1-methyl-3-propan-2-ylindazole

C15H22N2 — CID 174350260

IUPAC6-butan-2-yl-1-methyl-3-propan-2-ylindazole
SMILESCCC(C)c1ccc2c(C(C)C)nn(C)c2c1
InChIInChI=1S/C15H22N2/c1-6-11(4)12-7-8-13-14(9-12)17(5)16-15(13)10(2)3/h7-11H,6H2,1-5H3
InChIKeyRPZSYZGZBZOHQQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.21
Rot. Bonds3

About 6-butan-2-yl-1-methyl-3-propan-2-ylindazole

6-butan-2-yl-1-methyl-3-propan-2-ylindazole (PubChem CID 174350260) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-butan-2-yl-1-methyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name6-butan-2-yl-1-methyl-3-propan-2-ylindazole
PubChem CID174350260
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name6-butan-2-yl-1-methyl-3-propan-2-ylindazole
SMILESCCC(C)c1ccc2c(C(C)C)nn(C)c2c1
InChIInChI=1S/C15H22N2/c1-6-11(4)12-7-8-13-14(9-12)17(5)16-15(13)10(2)3/h7-11H,6H2,1-5H3
InChIKeyRPZSYZGZBZOHQQ-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-1-methylindazole
CID 118069514
5-fluoro-1-methyl-3-propan-2-ylindazole
CID 118489326
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
1-(3-chloro-1-methylindazol-6-yl)ethanol
CID 84678090
5-butan-2-yl-3-propan-2-yl-2H-indazole
CID 166843518
5,6-dimethoxy-1-methyl-3-propan-2-ylindazole
CID 164758234
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
bis(4-butan-2-ylphenyl)-dihydroxysilane
CID 67121260
4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 90892155
ethane;5-fluoro-1-methyl-3,6-di(propan-2-yl)indazole
CID 170569644
1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine
CID 84725424

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-methyl-3-propan-2-ylindazole?
The IUPAC name of 6-butan-2-yl-1-methyl-3-propan-2-ylindazole (CID 174350260) is 6-butan-2-yl-1-methyl-3-propan-2-ylindazole.
What is the SMILES notation for 6-butan-2-yl-1-methyl-3-propan-2-ylindazole?
The canonical SMILES for 6-butan-2-yl-1-methyl-3-propan-2-ylindazole is CCC(C)c1ccc2c(C(C)C)nn(C)c2c1.
What is the InChIKey of 6-butan-2-yl-1-methyl-3-propan-2-ylindazole?
The InChIKey is RPZSYZGZBZOHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-11(4)12-7-8-13-14(9-12)17(5)16-15(13)10(2)3/h7-11H,6H2,1-5H3.
What are the key properties of 6-butan-2-yl-1-methyl-3-propan-2-ylindazole?
6-butan-2-yl-1-methyl-3-propan-2-ylindazole has a molecular weight of 230.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-methyl-3-propan-2-ylindazole is sourced from PubChem (CID 174350260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).