3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole

C12H20N2 — CID 67864185

IUPAC3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole
SMILESCCCCCC1NNC2C=CC=CC21
InChIInChI=1S/C12H20N2/c1-2-3-4-8-11-10-7-5-6-9-12(10)14-13-11/h5-7,9-14H,2-4,8H2,1H3
InChIKeyZYNIHOHPGJFGDE-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.15
Rot. Bonds4

About 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole

3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole (PubChem CID 67864185) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole
PubChem CID67864185
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole
SMILESCCCCCC1NNC2C=CC=CC21
InChIInChI=1S/C12H20N2/c1-2-3-4-8-11-10-7-5-6-9-12(10)14-13-11/h5-7,9-14H,2-4,8H2,1H3
InChIKeyZYNIHOHPGJFGDE-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole?
The IUPAC name of 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole (CID 67864185) is 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole.
What is the SMILES notation for 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole?
The canonical SMILES for 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole is CCCCCC1NNC2C=CC=CC21.
What is the InChIKey of 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole?
The InChIKey is ZYNIHOHPGJFGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-4-8-11-10-7-5-6-9-12(10)14-13-11/h5-7,9-14H,2-4,8H2,1H3.
What are the key properties of 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole?
3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole has a molecular weight of 192.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2,3,3a,7a-tetrahydro-1H-indazole is sourced from PubChem (CID 67864185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).