3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid

C13H20N6O2 — CID 81068093

IUPAC3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1cc(C)nn1CC
InChIInChI=1S/C13H20N6O2/c1-4-10(7-12(20)21)8-19-13(14-16-17-19)11-6-9(3)15-18(11)5-2/h6,10H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyHRORCDDWTLYYDF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.37
Rot. Bonds7

About 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid

3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 81068093) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID81068093
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1cc(C)nn1CC
InChIInChI=1S/C13H20N6O2/c1-4-10(7-12(20)21)8-19-13(14-16-17-19)11-6-9(3)15-18(11)5-2/h6,10H,4-5,7-8H2,1-3H3,(H,20,21)
InChIKeyHRORCDDWTLYYDF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 81068093) is 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1-c1cc(C)nn1CC.
What is the InChIKey of 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is HRORCDDWTLYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-10(7-12(20)21)8-19-13(14-16-17-19)11-6-9(3)15-18(11)5-2/h6,10H,4-5,7-8H2,1-3H3,(H,20,21).
What are the key properties of 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-ethyl-5-methylpyrazol-3-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 81068093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).