1-(3-bromo-2-pyridinyl)pyrazol-4-amine

C8H7BrN4 — CID 61375628

IUPAC1-(3-bromo-2-pyridinyl)pyrazol-4-amine
SMILESNc1cnn(-c2ncccc2Br)c1
InChIInChI=1S/C8H7BrN4/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13/h1-5H,10H2
InChIKeyJSMBDRXCGHZTFD-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.61
Rot. Bonds1

About 1-(3-bromo-2-pyridinyl)pyrazol-4-amine

1-(3-bromo-2-pyridinyl)pyrazol-4-amine (PubChem CID 61375628) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)pyrazol-4-amine
PubChem CID61375628
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name1-(3-bromo-2-pyridinyl)pyrazol-4-amine
SMILESNc1cnn(-c2ncccc2Br)c1
InChIInChI=1S/C8H7BrN4/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13/h1-5H,10H2
InChIKeyJSMBDRXCGHZTFD-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)pyrazol-4-amine (CID 61375628) is 1-(3-bromo-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)pyrazol-4-amine is Nc1cnn(-c2ncccc2Br)c1.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)pyrazol-4-amine?
The InChIKey is JSMBDRXCGHZTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c9-7-2-1-3-11-8(7)13-5-6(10)4-12-13/h1-5H,10H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)pyrazol-4-amine?
1-(3-bromo-2-pyridinyl)pyrazol-4-amine has a molecular weight of 239.08 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 61375628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).