3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C15H12BrFN4 — CID 80522025

IUPAC3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)c(F)c2)c(-c2ccccn2)c1N
InChIInChI=1S/C15H12BrFN4/c1-21-15(18)13(12-4-2-3-7-19-12)14(20-21)9-5-6-10(16)11(17)8-9/h2-8H,18H2,1H3
InChIKeyNQLDIZWVPJDTNT-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.63
Rot. Bonds2

About 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80522025) has the molecular formula C15H12BrFN4 and a molecular weight of 347.19 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80522025
Molecular FormulaC15H12BrFN4
Molecular Weight347.19 g/mol
Exact Mass346.02
IUPAC Name3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)c(F)c2)c(-c2ccccn2)c1N
InChIInChI=1S/C15H12BrFN4/c1-21-15(18)13(12-4-2-3-7-19-12)14(20-21)9-5-6-10(16)11(17)8-9/h2-8H,18H2,1H3
InChIKeyNQLDIZWVPJDTNT-UHFFFAOYSA-N
XLogP3.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80522025) is 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cn1nc(-c2ccc(Br)c(F)c2)c(-c2ccccn2)c1N.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is NQLDIZWVPJDTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4/c1-21-15(18)13(12-4-2-3-7-19-12)14(20-21)9-5-6-10(16)11(17)8-9/h2-8H,18H2,1H3.
What are the key properties of 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 347.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80522025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).