3-pentyl-4,5,6,7-tetrahydro-1H-indazole

C12H20N2 — CID 585962

IUPAC3-pentyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCCCCCc1n[nH]c2c1CCCC2
InChIInChI=1S/C12H20N2/c1-2-3-4-8-11-10-7-5-6-9-12(10)14-13-11/h2-9H2,1H3,(H,13,14)
InChIKeyBYZRXJISBWQTJQ-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.02
Rot. Bonds4

About 3-pentyl-4,5,6,7-tetrahydro-1H-indazole

3-pentyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 585962) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-pentyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-pentyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID585962
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-pentyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCCCCCc1n[nH]c2c1CCCC2
InChIInChI=1S/C12H20N2/c1-2-3-4-8-11-10-7-5-6-9-12(10)14-13-11/h2-9H2,1H3,(H,13,14)
InChIKeyBYZRXJISBWQTJQ-UHFFFAOYSA-N
XLogP3.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-pentyl-4,5,6,7-tetrahydro-1H-indazole (CID 585962) is 3-pentyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-pentyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-pentyl-4,5,6,7-tetrahydro-1H-indazole is CCCCCc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-pentyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is BYZRXJISBWQTJQ-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/h2-9H2,1H3,(H,13,14).
What are the key properties of 3-pentyl-4,5,6,7-tetrahydro-1H-indazole?
3-pentyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 192.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 585962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).