3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine

C8H6ClFN4 — CID 67499521

IUPAC3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
SMILESNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C8H6ClFN4/c9-8-7(11)4-14(13-8)6-1-5(10)2-12-3-6/h1-4H,11H2
InChIKeyBDLADHWLUHMPQD-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.64
Rot. Bonds1

About 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine

3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine (PubChem CID 67499521) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
PubChem CID67499521
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
SMILESNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C8H6ClFN4/c9-8-7(11)4-14(13-8)6-1-5(10)2-12-3-6/h1-4H,11H2
InChIKeyBDLADHWLUHMPQD-UHFFFAOYSA-N
XLogP1.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The IUPAC name of 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine (CID 67499521) is 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine is Nc1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The InChIKey is BDLADHWLUHMPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-8-7(11)4-14(13-8)6-1-5(10)2-12-3-6/h1-4H,11H2.
What are the key properties of 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine has a molecular weight of 212.62 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 67499521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).