1-(5-propoxypentyl)-2H-indazol-3-one

C15H22N2O2 — CID 10355354

IUPAC1-(5-propoxypentyl)-2H-indazol-3-one
SMILESCCCOCCCCCn1[nH]c(=O)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-2-11-19-12-7-3-6-10-17-14-9-5-4-8-13(14)15(18)16-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,16,18)
InChIKeyGMFBBIMOVHNWCM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.93
Rot. Bonds8

About 1-(5-propoxypentyl)-2H-indazol-3-one

1-(5-propoxypentyl)-2H-indazol-3-one (PubChem CID 10355354) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(5-propoxypentyl)-2H-indazol-3-one.

Molecular Properties

Compound Name1-(5-propoxypentyl)-2H-indazol-3-one
PubChem CID10355354
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(5-propoxypentyl)-2H-indazol-3-one
SMILESCCCOCCCCCn1[nH]c(=O)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-2-11-19-12-7-3-6-10-17-14-9-5-4-8-13(14)15(18)16-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,16,18)
InChIKeyGMFBBIMOVHNWCM-UHFFFAOYSA-N
XLogP2.93
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(5-propoxypentyl)-2H-indazol-3-one?
The IUPAC name of 1-(5-propoxypentyl)-2H-indazol-3-one (CID 10355354) is 1-(5-propoxypentyl)-2H-indazol-3-one.
What is the SMILES notation for 1-(5-propoxypentyl)-2H-indazol-3-one?
The canonical SMILES for 1-(5-propoxypentyl)-2H-indazol-3-one is CCCOCCCCCn1[nH]c(=O)c2ccccc21.
What is the InChIKey of 1-(5-propoxypentyl)-2H-indazol-3-one?
The InChIKey is GMFBBIMOVHNWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-11-19-12-7-3-6-10-17-14-9-5-4-8-13(14)15(18)16-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,16,18).
What are the key properties of 1-(5-propoxypentyl)-2H-indazol-3-one?
1-(5-propoxypentyl)-2H-indazol-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxypentyl)-2H-indazol-3-one is sourced from PubChem (CID 10355354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).