5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid

C9H12BrN3O2 — CID 175750682

IUPAC5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)c(Br)nn1C1CCCC1
InChIInChI=1S/C9H12BrN3O2/c10-7-6(9(14)15)8(11)13(12-7)5-3-1-2-4-5/h5H,1-4,11H2,(H,14,15)
InChIKeyXKSILELUMDQKSA-UHFFFAOYSA-N
MW274.12 g/mol
LogP2.04
Rot. Bonds2

About 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid

5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid (PubChem CID 175750682) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
PubChem CID175750682
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)c(Br)nn1C1CCCC1
InChIInChI=1S/C9H12BrN3O2/c10-7-6(9(14)15)8(11)13(12-7)5-3-1-2-4-5/h5H,1-4,11H2,(H,14,15)
InChIKeyXKSILELUMDQKSA-UHFFFAOYSA-N
XLogP2.04
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid (CID 175750682) is 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid is Nc1c(C(=O)O)c(Br)nn1C1CCCC1.
What is the InChIKey of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid?
The InChIKey is XKSILELUMDQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-7-6(9(14)15)8(11)13(12-7)5-3-1-2-4-5/h5H,1-4,11H2,(H,14,15).
What are the key properties of 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid?
5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid has a molecular weight of 274.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-cyclopentylpyrazole-4-carboxylic acid is sourced from PubChem (CID 175750682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).