1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine

C14H11BrN4 — CID 83222872

IUPAC1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1-c1ccccc1
InChIInChI=1S/C14H11BrN4/c15-11-6-7-13(17-8-11)19-9-12(16)14(18-19)10-4-2-1-3-5-10/h1-9H,16H2
InChIKeyCYMLITMDWVYAHV-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.28
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine

1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine (PubChem CID 83222872) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine
PubChem CID83222872
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1-c1ccccc1
InChIInChI=1S/C14H11BrN4/c15-11-6-7-13(17-8-11)19-9-12(16)14(18-19)10-4-2-1-3-5-10/h1-9H,16H2
InChIKeyCYMLITMDWVYAHV-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 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine (CID 83222872) is 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine is Nc1cn(-c2ccc(Br)cn2)nc1-c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine?
The InChIKey is CYMLITMDWVYAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-11-6-7-13(17-8-11)19-9-12(16)14(18-19)10-4-2-1-3-5-10/h1-9H,16H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine?
1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-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 1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine is sourced from PubChem (CID 83222872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).