5-heptyl-1H-indazole

C14H20N2 — CID 59546105

IUPAC5-heptyl-1H-indazole
SMILESCCCCCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H20N2/c1-2-3-4-5-6-7-12-8-9-14-13(10-12)11-15-16-14/h8-11H,2-7H2,1H3,(H,15,16)
InChIKeyVOOIIVWQHKXIBF-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.08
Rot. Bonds6

About 5-heptyl-1H-indazole

5-heptyl-1H-indazole (PubChem CID 59546105) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-heptyl-1H-indazole.

Molecular Properties

Compound Name5-heptyl-1H-indazole
PubChem CID59546105
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-heptyl-1H-indazole
SMILESCCCCCCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C14H20N2/c1-2-3-4-5-6-7-12-8-9-14-13(10-12)11-15-16-14/h8-11H,2-7H2,1H3,(H,15,16)
InChIKeyVOOIIVWQHKXIBF-UHFFFAOYSA-N
XLogP4.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-heptyl-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Indazol-6-amine
CID 81423
1H-Indazol-5-amine
CID 88012
1H-Indazole
CID 9221
6-Nitroindazole
CID 24239
1H-indazol-7-amine
CID 88901
3-phenyl-1H-pyrazole
CID 17155
3-Methyl-4-phenylpyrazol
CID 139601
N-(1H-indazol-4-yl)methanesulfonamide
CID 1481965
5-benzhydryl-1H-pyrazole
CID 2806015
3-methyl-1H-indazole
CID 820804
5-Iodo-1H-indazole
CID 21894739
6-(trifluoromethyl)-1H-indazole
CID 21455599

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-1H-indazole?
The IUPAC name of 5-heptyl-1H-indazole (CID 59546105) is 5-heptyl-1H-indazole.
What is the SMILES notation for 5-heptyl-1H-indazole?
The canonical SMILES for 5-heptyl-1H-indazole is CCCCCCCc1ccc2[nH]ncc2c1.
What is the InChIKey of 5-heptyl-1H-indazole?
The InChIKey is VOOIIVWQHKXIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-3-4-5-6-7-12-8-9-14-13(10-12)11-15-16-14/h8-11H,2-7H2,1H3,(H,15,16).
What are the key properties of 5-heptyl-1H-indazole?
5-heptyl-1H-indazole has a molecular weight of 216.33 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-1H-indazole is sourced from PubChem (CID 59546105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).