5-indazol-1-ylpentanoic acid

C12H14N2O2 — CID 21062784

IUPAC5-indazol-1-ylpentanoic acid
SMILESO=C(O)CCCCn1ncc2ccccc21
InChIInChI=1S/C12H14N2O2/c15-12(16)7-3-4-8-14-11-6-2-1-5-10(11)9-13-14/h1-2,5-6,9H,3-4,7-8H2,(H,15,16)
InChIKeySIFBNUDBBNKTJA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.29
Rot. Bonds5

About 5-indazol-1-ylpentanoic acid

5-indazol-1-ylpentanoic acid (PubChem CID 21062784) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-indazol-1-ylpentanoic acid.

Molecular Properties

Compound Name5-indazol-1-ylpentanoic acid
PubChem CID21062784
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-indazol-1-ylpentanoic acid
SMILESO=C(O)CCCCn1ncc2ccccc21
InChIInChI=1S/C12H14N2O2/c15-12(16)7-3-4-8-14-11-6-2-1-5-10(11)9-13-14/h1-2,5-6,9H,3-4,7-8H2,(H,15,16)
InChIKeySIFBNUDBBNKTJA-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.29
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 5-indazol-1-ylpentanoic acid?
The IUPAC name of 5-indazol-1-ylpentanoic acid (CID 21062784) is 5-indazol-1-ylpentanoic acid.
What is the SMILES notation for 5-indazol-1-ylpentanoic acid?
The canonical SMILES for 5-indazol-1-ylpentanoic acid is O=C(O)CCCCn1ncc2ccccc21.
What is the InChIKey of 5-indazol-1-ylpentanoic acid?
The InChIKey is SIFBNUDBBNKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)7-3-4-8-14-11-6-2-1-5-10(11)9-13-14/h1-2,5-6,9H,3-4,7-8H2,(H,15,16).
What are the key properties of 5-indazol-1-ylpentanoic acid?
5-indazol-1-ylpentanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-indazol-1-ylpentanoic acid is sourced from PubChem (CID 21062784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).