2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid

C12H13N7O2 — CID 103123623

IUPAC2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)n1nnnc1-c1cnn2ccncc12
InChIInChI=1S/C12H13N7O2/c1-7(12(20)21)8(2)19-11(15-16-17-19)9-5-14-18-4-3-13-6-10(9)18/h3-8H,1-2H3,(H,20,21)
InChIKeyLLYKXXVCGMPQMR-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.66
Rot. Bonds4

About 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid

2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid (PubChem CID 103123623) has the molecular formula C12H13N7O2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid
PubChem CID103123623
Molecular FormulaC12H13N7O2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)n1nnnc1-c1cnn2ccncc12
InChIInChI=1S/C12H13N7O2/c1-7(12(20)21)8(2)19-11(15-16-17-19)9-5-14-18-4-3-13-6-10(9)18/h3-8H,1-2H3,(H,20,21)
InChIKeyLLYKXXVCGMPQMR-UHFFFAOYSA-N
XLogP0.66
TPSA111.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-3-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]butanoic acid
CID 114031520
2-methyl-3-[5-(3-methylthiophen-2-yl)tetrazol-1-yl]butanoic acid
CID 113416689
3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 107526445
2-methyl-3-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123576
3-[5-(5-iodothiophen-3-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 113416699
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N,4-diethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117517
2-methyl-2-(5-pyrazolo[1,5-a]pyridin-3-yltetrazol-1-yl)propanoic acid
CID 103123559
N-(3-amino-2-methylpropyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115831
4-ethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazole-3-sulfonamide
CID 103123852
3-(5-hexyltetrazol-1-yl)-2-methylbutanoic acid
CID 114754261

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid (CID 103123623) is 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid is CC(C(=O)O)C(C)n1nnnc1-c1cnn2ccncc12.
What is the InChIKey of 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid?
The InChIKey is LLYKXXVCGMPQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O2/c1-7(12(20)21)8(2)19-11(15-16-17-19)9-5-14-18-4-3-13-6-10(9)18/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid?
2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid has a molecular weight of 287.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-pyrazolo[1,5-a]pyrazin-3-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 103123623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).