1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine

C8H6F2N4 — CID 90095717

IUPAC1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine
SMILESNc1ccn(-c2cc(F)cnc2F)n1
InChIInChI=1S/C8H6F2N4/c9-5-3-6(8(10)12-4-5)14-2-1-7(11)13-14/h1-4H,(H2,11,13)
InChIKeyOTQAEOYBVHCZAE-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.13
Rot. Bonds1

About 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine

1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine (PubChem CID 90095717) has the molecular formula C8H6F2N4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine
PubChem CID90095717
Molecular FormulaC8H6F2N4
Molecular Weight196.16 g/mol
Exact Mass196.06
IUPAC Name1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine
SMILESNc1ccn(-c2cc(F)cnc2F)n1
InChIInChI=1S/C8H6F2N4/c9-5-3-6(8(10)12-4-5)14-2-1-7(11)13-14/h1-4H,(H2,11,13)
InChIKeyOTQAEOYBVHCZAE-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine?
The IUPAC name of 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine (CID 90095717) is 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine is Nc1ccn(-c2cc(F)cnc2F)n1.
What is the InChIKey of 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine?
The InChIKey is OTQAEOYBVHCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4/c9-5-3-6(8(10)12-4-5)14-2-1-7(11)13-14/h1-4H,(H2,11,13).
What are the key properties of 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine?
1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine has a molecular weight of 196.16 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 90095717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).