7-butan-2-yl-2-propan-2-ylindazole

C14H20N2 — CID 166090913

IUPAC7-butan-2-yl-2-propan-2-ylindazole
SMILESCCC(C)c1cccc2cn(C(C)C)nc12
InChIInChI=1S/C14H20N2/c1-5-11(4)13-8-6-7-12-9-16(10(2)3)15-14(12)13/h6-11H,5H2,1-4H3
InChIKeyWYPXTUFANPIAOL-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.13
Rot. Bonds3

About 7-butan-2-yl-2-propan-2-ylindazole

7-butan-2-yl-2-propan-2-ylindazole (PubChem CID 166090913) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 7-butan-2-yl-2-propan-2-ylindazole.

Molecular Properties

Compound Name7-butan-2-yl-2-propan-2-ylindazole
PubChem CID166090913
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name7-butan-2-yl-2-propan-2-ylindazole
SMILESCCC(C)c1cccc2cn(C(C)C)nc12
InChIInChI=1S/C14H20N2/c1-5-11(4)13-8-6-7-12-9-16(10(2)3)15-14(12)13/h6-11H,5H2,1-4H3
InChIKeyWYPXTUFANPIAOL-UHFFFAOYSA-N
XLogP4.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylindazol-7-ol
CID 84717779
CID 90229039
CID 90229039
2-propan-2-ylindazole-7-carboxamide
CID 118166353
2-(2-ethylindazol-7-yl)propanoic acid
CID 84724302
5-butan-2-ylquinoxaline
CID 123654553
8-butan-2-yl-3-methylquinazolin-4-one
CID 176559787
2,7-di(propan-2-yl)pyrazolo[3,4-c]pyridine
CID 165130698
1-butan-2-ylphenothiazin-5-ium
CID 89077309
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-butan-2-ylphenothiazin-5-ium iodide
CID 89077308
2,4-di(propan-2-yl)indazole
CID 166044650
7-methoxy-2-propan-2-ylindazol-6-ol
CID 164936584

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2-propan-2-ylindazole?
The IUPAC name of 7-butan-2-yl-2-propan-2-ylindazole (CID 166090913) is 7-butan-2-yl-2-propan-2-ylindazole.
What is the SMILES notation for 7-butan-2-yl-2-propan-2-ylindazole?
The canonical SMILES for 7-butan-2-yl-2-propan-2-ylindazole is CCC(C)c1cccc2cn(C(C)C)nc12.
What is the InChIKey of 7-butan-2-yl-2-propan-2-ylindazole?
The InChIKey is WYPXTUFANPIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-11(4)13-8-6-7-12-9-16(10(2)3)15-14(12)13/h6-11H,5H2,1-4H3.
What are the key properties of 7-butan-2-yl-2-propan-2-ylindazole?
7-butan-2-yl-2-propan-2-ylindazole has a molecular weight of 216.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-2-propan-2-ylindazole is sourced from PubChem (CID 166090913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).