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

C10H14N6O2 — CID 66120183

IUPAC2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
SMILESCCc1cc(-c2nnnn2C(C)C(=O)O)n(C)n1
InChIInChI=1S/C10H14N6O2/c1-4-7-5-8(15(3)12-7)9-11-13-14-16(9)6(2)10(17)18/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeyCUHUVIAQYVJPDU-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.28
Rot. Bonds4

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

2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66120183) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
PubChem CID66120183
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid
SMILESCCc1cc(-c2nnnn2C(C)C(=O)O)n(C)n1
InChIInChI=1S/C10H14N6O2/c1-4-7-5-8(15(3)12-7)9-11-13-14-16(9)6(2)10(17)18/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeyCUHUVIAQYVJPDU-UHFFFAOYSA-N
XLogP0.28
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541613
3-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 115429274
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
2-[[5-(3-ethyl-1-methylpyrazol-5-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391965
3-(3-ethyl-1-methylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115394957
2-[5-(3,6-dimethylpyridazin-4-yl)tetrazol-1-yl]propanoic acid
CID 104673065
2-[5-(4-ethylthiadiazol-5-yl)tetrazol-1-yl]propanoic acid
CID 66043585
2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
CID 66043180
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041380
2-[[5-(3-ethyl-1-methylpyrazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392979
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
ethyl 5-(3-ethyl-1-methylpyrazol-5-yl)-1-methyl-1,2,4-triazole-3-carboxylate
CID 66122523

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid (CID 66120183) is 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid is CCc1cc(-c2nnnn2C(C)C(=O)O)n(C)n1.
What is the InChIKey of 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is CUHUVIAQYVJPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-4-7-5-8(15(3)12-7)9-11-13-14-16(9)6(2)10(17)18/h5-6H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid?
2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 250.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethyl-1-methylpyrazol-5-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66120183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).