3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid

C13H15ClN4O2 — CID 106864525

IUPAC3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1-c1ccc(C)cc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-3-9(7-12(19)20)18-13(15-16-17-18)10-5-4-8(2)6-11(10)14/h4-6,9H,3,7H2,1-2H3,(H,19,20)
InChIKeyWYADQLLHYQMUAZ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.73
Rot. Bonds5

About 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid

3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid (PubChem CID 106864525) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
PubChem CID106864525
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
SMILESCCC(CC(=O)O)n1nnnc1-c1ccc(C)cc1Cl
InChIInChI=1S/C13H15ClN4O2/c1-3-9(7-12(19)20)18-13(15-16-17-18)10-5-4-8(2)6-11(10)14/h4-6,9H,3,7H2,1-2H3,(H,19,20)
InChIKeyWYADQLLHYQMUAZ-UHFFFAOYSA-N
XLogP2.73
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
CID 107967102
3-[5-(6-oxo-1H-pyridin-2-yl)tetrazol-1-yl]pentanoic acid
CID 114040580
3-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]pentanoic acid
CID 103028701
4-[5-(2-fluoro-5-methylphenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071528
3-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 81262400
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 106754449
4-chloro-3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119532
4-[5-(2,4-dimethylphenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541663
3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
CID 102811524
4-[5-(2,4-dichlorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541340
3-[5-(2-bromofuran-3-yl)tetrazol-1-yl]-5,5-dimethylhexanoic acid
CID 106856440
2-[5-(5-bromo-2-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 66041787

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid?
The IUPAC name of 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid (CID 106864525) is 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid is CCC(CC(=O)O)n1nnnc1-c1ccc(C)cc1Cl.
What is the InChIKey of 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid?
The InChIKey is WYADQLLHYQMUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-9(7-12(19)20)18-13(15-16-17-18)10-5-4-8(2)6-11(10)14/h4-6,9H,3,7H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid?
3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid has a molecular weight of 294.74 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 106864525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).