1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine

C13H15BrN4 — CID 83223329

IUPAC1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1C1CCCC1
InChIInChI=1S/C13H15BrN4/c14-10-5-6-12(16-7-10)18-8-11(15)13(17-18)9-3-1-2-4-9/h5-9H,1-4,15H2
InChIKeyRJEMZAZBAYCZQN-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.27
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine

1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine (PubChem CID 83223329) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine
PubChem CID83223329
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1C1CCCC1
InChIInChI=1S/C13H15BrN4/c14-10-5-6-12(16-7-10)18-8-11(15)13(17-18)9-3-1-2-4-9/h5-9H,1-4,15H2
InChIKeyRJEMZAZBAYCZQN-UHFFFAOYSA-N
XLogP3.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine (CID 83223329) is 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine is Nc1cn(-c2ccc(Br)cn2)nc1C1CCCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine?
The InChIKey is RJEMZAZBAYCZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-10-5-6-12(16-7-10)18-8-11(15)13(17-18)9-3-1-2-4-9/h5-9H,1-4,15H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine?
1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine has a molecular weight of 307.19 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine is sourced from PubChem (CID 83223329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).