5-dodecyl-1H-indazole

C19H30N2 — CID 67799721

IUPAC5-dodecyl-1H-indazole
SMILESCCCCCCCCCCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H30N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19-18(15-17)16-20-21-19/h13-16H,2-12H2,1H3,(H,20,21)
InChIKeyLOOAJFPGCKYDAW-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.03
Rot. Bonds11

About 5-dodecyl-1H-indazole

5-dodecyl-1H-indazole (PubChem CID 67799721) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-dodecyl-1H-indazole.

Molecular Properties

Compound Name5-dodecyl-1H-indazole
PubChem CID67799721
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-dodecyl-1H-indazole
SMILESCCCCCCCCCCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C19H30N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19-18(15-17)16-20-21-19/h13-16H,2-12H2,1H3,(H,20,21)
InChIKeyLOOAJFPGCKYDAW-UHFFFAOYSA-N
XLogP6.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.03
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

5-(3-methoxypropyl)-1H-indazole
CID 175249018
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
6-pentylphthalazine
CID 21134765
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
(2R)-1-(1H-indazol-5-yl)propan-2-amine
CID 146673459
1-[2-(1H-indazol-5-yl)ethyl]cyclopropan-1-amine
CID 105453709
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
CID 130453312
2-octylanthracene
CID 23131226
ethane;2-hexylnaphthalene
CID 142191207
2-(1H-indazol-5-ylmethylamino)-4-methanimidoyl-5-pentyl-1H-pyrimidin-6-one
CID 154962027
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571

Frequently Asked Questions

What is the IUPAC name of 5-dodecyl-1H-indazole?
The IUPAC name of 5-dodecyl-1H-indazole (CID 67799721) is 5-dodecyl-1H-indazole.
What is the SMILES notation for 5-dodecyl-1H-indazole?
The canonical SMILES for 5-dodecyl-1H-indazole is CCCCCCCCCCCCc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-dodecyl-1H-indazole?
The InChIKey is LOOAJFPGCKYDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14-19-18(15-17)16-20-21-19/h13-16H,2-12H2,1H3,(H,20,21).
What are the key properties of 5-dodecyl-1H-indazole?
5-dodecyl-1H-indazole has a molecular weight of 286.46 g/mol, XLogP of 6.03, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecyl-1H-indazole is sourced from PubChem (CID 67799721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).