3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid

C13H20N6O2 — CID 102811524

IUPAC3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1nnnc1-c1cn(C)nc1CC
InChIInChI=1S/C13H20N6O2/c1-4-6-9(7-12(20)21)19-13(14-16-17-19)10-8-18(3)15-11(10)5-2/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKeyUYAUVEFOXUWDHT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.45
Rot. Bonds7

About 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid

3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid (PubChem CID 102811524) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
PubChem CID102811524
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1nnnc1-c1cn(C)nc1CC
InChIInChI=1S/C13H20N6O2/c1-4-6-9(7-12(20)21)19-13(14-16-17-19)10-8-18(3)15-11(10)5-2/h8-9H,4-7H2,1-3H3,(H,20,21)
InChIKeyUYAUVEFOXUWDHT-UHFFFAOYSA-N
XLogP1.45
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid?
The IUPAC name of 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid (CID 102811524) is 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid.
What is the SMILES notation for 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid?
The canonical SMILES for 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid is CCCC(CC(=O)O)n1nnnc1-c1cn(C)nc1CC.
What is the InChIKey of 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid?
The InChIKey is UYAUVEFOXUWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-6-9(7-12(20)21)19-13(14-16-17-19)10-8-18(3)15-11(10)5-2/h8-9H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid?
3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid is sourced from PubChem (CID 102811524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).