1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine

C14H10BrFN4 — CID 83222344

IUPAC1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1-c1cccc(F)c1
InChIInChI=1S/C14H10BrFN4/c15-10-4-5-13(18-7-10)20-8-12(17)14(19-20)9-2-1-3-11(16)6-9/h1-8H,17H2
InChIKeyMOFSGCGTIYBWJV-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.42
Rot. Bonds2

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

1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine (PubChem CID 83222344) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine
PubChem CID83222344
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1-c1cccc(F)c1
InChIInChI=1S/C14H10BrFN4/c15-10-4-5-13(18-7-10)20-8-12(17)14(19-20)9-2-1-3-11(16)6-9/h1-8H,17H2
InChIKeyMOFSGCGTIYBWJV-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 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine (CID 83222344) is 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(Br)cn2)nc1-c1cccc(F)c1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine?
The InChIKey is MOFSGCGTIYBWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-10-4-5-13(18-7-10)20-8-12(17)14(19-20)9-2-1-3-11(16)6-9/h1-8H,17H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine?
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-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 1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83222344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).