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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Related Compounds

3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 107526441
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 106754449
3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
CID 107967102
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
2-[[5-(3-ethyl-1-methylpyrazol-4-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 102810809
3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
CID 106864525
2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
3-[5-(cycloheptylmethyl)tetrazol-1-yl]hexanoic acid
CID 114459357
3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 66009716
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496
(3S)-3-acetamido-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 103955785
3-[5-(2-bromofuran-3-yl)tetrazol-1-yl]-5,5-dimethylhexanoic acid
CID 106856440

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).