3-pentyl-1-pyridin-4-ylindazole

C17H19N3 — CID 67816303

IUPAC3-pentyl-1-pyridin-4-ylindazole
SMILESCCCCCc1nn(-c2ccncc2)c2ccccc12
InChIInChI=1S/C17H19N3/c1-2-3-4-8-16-15-7-5-6-9-17(15)20(19-16)14-10-12-18-13-11-14/h5-7,9-13H,2-4,8H2,1H3
InChIKeyBWAVZNZPXWXNDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.15
Rot. Bonds5

About 3-pentyl-1-pyridin-4-ylindazole

3-pentyl-1-pyridin-4-ylindazole (PubChem CID 67816303) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-pentyl-1-pyridin-4-ylindazole.

Molecular Properties

Compound Name3-pentyl-1-pyridin-4-ylindazole
PubChem CID67816303
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-pentyl-1-pyridin-4-ylindazole
SMILESCCCCCc1nn(-c2ccncc2)c2ccccc12
InChIInChI=1S/C17H19N3/c1-2-3-4-8-16-15-7-5-6-9-17(15)20(19-16)14-10-12-18-13-11-14/h5-7,9-13H,2-4,8H2,1H3
InChIKeyBWAVZNZPXWXNDK-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-1-methylindazole;ethane;3-(1-methylindazol-3-yl)propan-1-ol
CID 91002928
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 102460361
3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265
3-(chloromethyl)-1-(4-chlorophenyl)indazole
CID 69193240
dodecylbenzene;pyridine
CID 174718010
2-propyl-1-pyridin-4-ylindol-3-amine
CID 57168860
1,3-dipropylindazole
CID 174534089
5-methyl-3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 139238262
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
1-dodecylisoquinoline;hydroiodide
CID 173144441
4-nonadec-10-enylpyridine
CID 71356376
N-[2-(1-butylindol-3-yl)ethyl]pyridin-4-amine
CID 67761512

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1-pyridin-4-ylindazole?
The IUPAC name of 3-pentyl-1-pyridin-4-ylindazole (CID 67816303) is 3-pentyl-1-pyridin-4-ylindazole.
What is the SMILES notation for 3-pentyl-1-pyridin-4-ylindazole?
The canonical SMILES for 3-pentyl-1-pyridin-4-ylindazole is CCCCCc1nn(-c2ccncc2)c2ccccc12.
What is the InChIKey of 3-pentyl-1-pyridin-4-ylindazole?
The InChIKey is BWAVZNZPXWXNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-3-4-8-16-15-7-5-6-9-17(15)20(19-16)14-10-12-18-13-11-14/h5-7,9-13H,2-4,8H2,1H3.
What are the key properties of 3-pentyl-1-pyridin-4-ylindazole?
3-pentyl-1-pyridin-4-ylindazole has a molecular weight of 265.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1-pyridin-4-ylindazole is sourced from PubChem (CID 67816303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).