6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid

C10H11Br2N3O2 — CID 175326379

IUPAC6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2(CC(n3nc(Br)cc3Br)C2)C1
InChIInChI=1S/C10H11Br2N3O2/c11-7-1-8(12)15(13-7)6-2-10(3-6)4-14(5-10)9(16)17/h1,6H,2-5H2,(H,16,17)
InChIKeyLFZICDJEQADPQZ-UHFFFAOYSA-N
MW365.03 g/mol
LogP2.72
Rot. Bonds1

About 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid

6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 175326379) has the molecular formula C10H11Br2N3O2 and a molecular weight of 365.03 g/mol. Its IUPAC name is 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
PubChem CID175326379
Molecular FormulaC10H11Br2N3O2
Molecular Weight365.03 g/mol
Exact Mass362.92
IUPAC Name6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2(CC(n3nc(Br)cc3Br)C2)C1
InChIInChI=1S/C10H11Br2N3O2/c11-7-1-8(12)15(13-7)6-2-10(3-6)4-14(5-10)9(16)17/h1,6H,2-5H2,(H,16,17)
InChIKeyLFZICDJEQADPQZ-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.03
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-Bromo-5-methylpyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 156501327
Tert-butyl 6-(3,5-dibromo-1H-pyrazol-1-YL)-2-azaspiro[3.3]heptane-2-carboxylate
CID 156792198
Butyl 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 172837237

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid (CID 175326379) is 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid is O=C(O)N1CC2(CC(n3nc(Br)cc3Br)C2)C1.
What is the InChIKey of 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is LFZICDJEQADPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O2/c11-7-1-8(12)15(13-7)6-2-10(3-6)4-14(5-10)9(16)17/h1,6H,2-5H2,(H,16,17).
What are the key properties of 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid?
6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 365.03 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dibromopyrazol-1-yl)-2-azaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 175326379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).