3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid

C8H10N6O2 — CID 103123567

IUPAC3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
SMILESCn1ccc(-c2nnnn2CCC(=O)O)n1
InChIInChI=1S/C8H10N6O2/c1-13-4-2-6(10-13)8-9-11-12-14(8)5-3-7(15)16/h2,4H,3,5H2,1H3,(H,15,16)
InChIKeyNJEFTZORGWEBKL-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.45
Rot. Bonds4

About 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid

3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid (PubChem CID 103123567) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
PubChem CID103123567
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
SMILESCn1ccc(-c2nnnn2CCC(=O)O)n1
InChIInChI=1S/C8H10N6O2/c1-13-4-2-6(10-13)8-9-11-12-14(8)5-3-7(15)16/h2,4H,3,5H2,1H3,(H,15,16)
InChIKeyNJEFTZORGWEBKL-UHFFFAOYSA-N
XLogP-0.45
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(1-methylimidazol-4-yl)tetrazol-1-yl]propanoic acid
CID 107975976
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
3-(5-quinolin-2-yltetrazol-1-yl)propanoic acid
CID 66043212
2-methyl-2-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid
CID 103123561
3-[5-(3-fluoro-5-methylphenyl)tetrazol-1-yl]propanoic acid
CID 113396072
6-[5-(4-methylphenyl)tetrazol-1-yl]hexanoic acid
CID 82226289
3-[5-(6-oxo-1H-pyridin-3-yl)tetrazol-1-yl]propanoic acid
CID 136742815
3-[5-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-1-yl]propanoic acid
CID 66040610
3-[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]propanoic acid
CID 79996347
3-[5-(3-bromo-4-methoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041010
3-[5-(4-bromo-3-chlorophenyl)tetrazol-1-yl]propanoic acid
CID 81308251
3-[5-(5-fluoro-3-pyridinyl)tetrazol-1-yl]propanoic acid
CID 104786745

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid (CID 103123567) is 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid is Cn1ccc(-c2nnnn2CCC(=O)O)n1.
What is the InChIKey of 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is NJEFTZORGWEBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-13-4-2-6(10-13)8-9-11-12-14(8)5-3-7(15)16/h2,4H,3,5H2,1H3,(H,15,16).
What are the key properties of 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid?
3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 222.21 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 103123567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).