5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine

C14H10BrFN4 — CID 118555332

IUPAC5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine
SMILESNc1cc(-c2ccnn2-c2ccc(F)cc2)c(Br)cn1
InChIInChI=1S/C14H10BrFN4/c15-12-8-18-14(17)7-11(12)13-5-6-19-20(13)10-3-1-9(16)2-4-10/h1-8H,(H2,17,18)
InChIKeyUWTPANNPOCAPEN-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.42
Rot. Bonds2

About 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine

5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 118555332) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine
PubChem CID118555332
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine
SMILESNc1cc(-c2ccnn2-c2ccc(F)cc2)c(Br)cn1
InChIInChI=1S/C14H10BrFN4/c15-12-8-18-14(17)7-11(12)13-5-6-19-20(13)10-3-1-9(16)2-4-10/h1-8H,(H2,17,18)
InChIKeyUWTPANNPOCAPEN-UHFFFAOYSA-N
XLogP3.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine (CID 118555332) is 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine is Nc1cc(-c2ccnn2-c2ccc(F)cc2)c(Br)cn1.
What is the InChIKey of 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine?
The InChIKey is UWTPANNPOCAPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-12-8-18-14(17)7-11(12)13-5-6-19-20(13)10-3-1-9(16)2-4-10/h1-8H,(H2,17,18).
What are the key properties of 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine?
5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 333.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(4-fluorophenyl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 118555332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).