5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine

C14H11BrN4 — CID 79534571

IUPAC5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
SMILESNc1cnc(-n2cc(-c3ccccc3)cn2)c(Br)c1
InChIInChI=1S/C14H11BrN4/c15-13-6-12(16)8-17-14(13)19-9-11(7-18-19)10-4-2-1-3-5-10/h1-9H,16H2
InChIKeyOZMNPWBDHLFARH-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine

5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine (PubChem CID 79534571) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
PubChem CID79534571
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
SMILESNc1cnc(-n2cc(-c3ccccc3)cn2)c(Br)c1
InChIInChI=1S/C14H11BrN4/c15-13-6-12(16)8-17-14(13)19-9-11(7-18-19)10-4-2-1-3-5-10/h1-9H,16H2
InChIKeyOZMNPWBDHLFARH-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine (CID 79534571) is 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine is Nc1cnc(-n2cc(-c3ccccc3)cn2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine?
The InChIKey is OZMNPWBDHLFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-13-6-12(16)8-17-14(13)19-9-11(7-18-19)10-4-2-1-3-5-10/h1-9H,16H2.
What are the key properties of 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine?
5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine has a molecular weight of 315.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 79534571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).