3-decyl-4-methyl-2H-indazole

C18H28N2 — CID 173177017

IUPAC3-decyl-4-methyl-2H-indazole
SMILESCCCCCCCCCCc1[nH]nc2cccc(C)c12
InChIInChI=1S/C18H28N2/c1-3-4-5-6-7-8-9-10-13-16-18-15(2)12-11-14-17(18)20-19-16/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)
InChIKeyIBESGPGTXILCDW-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.55
Rot. Bonds9

About 3-decyl-4-methyl-2H-indazole

3-decyl-4-methyl-2H-indazole (PubChem CID 173177017) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-decyl-4-methyl-2H-indazole.

Molecular Properties

Compound Name3-decyl-4-methyl-2H-indazole
PubChem CID173177017
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-decyl-4-methyl-2H-indazole
SMILESCCCCCCCCCCc1[nH]nc2cccc(C)c12
InChIInChI=1S/C18H28N2/c1-3-4-5-6-7-8-9-10-13-16-18-15(2)12-11-14-17(18)20-19-16/h11-12,14H,3-10,13H2,1-2H3,(H,19,20)
InChIKeyIBESGPGTXILCDW-UHFFFAOYSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-3-pentyl-2H-indazole
CID 70179952
3,4,5-trioctyl-1H-pyrazole
CID 139676561
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
3,4,5-trihexyl-1H-pyrazole
CID 139676560
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
2-hexyl-3-methylphenol
CID 28322
1,2-dihexyl-3-methylbenzene
CID 15920121
2H-benzotriazole;hexylbenzene
CID 158994686
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole
CID 10131530
4-hexyl-2H-benzotriazol-3-ium
CID 173176516

Frequently Asked Questions

What is the IUPAC name of 3-decyl-4-methyl-2H-indazole?
The IUPAC name of 3-decyl-4-methyl-2H-indazole (CID 173177017) is 3-decyl-4-methyl-2H-indazole.
What is the SMILES notation for 3-decyl-4-methyl-2H-indazole?
The canonical SMILES for 3-decyl-4-methyl-2H-indazole is CCCCCCCCCCc1[nH]nc2cccc(C)c12.
What is the InChIKey of 3-decyl-4-methyl-2H-indazole?
The InChIKey is IBESGPGTXILCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-4-5-6-7-8-9-10-13-16-18-15(2)12-11-14-17(18)20-19-16/h11-12,14H,3-10,13H2,1-2H3,(H,19,20).
What are the key properties of 3-decyl-4-methyl-2H-indazole?
3-decyl-4-methyl-2H-indazole has a molecular weight of 272.44 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-4-methyl-2H-indazole is sourced from PubChem (CID 173177017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).