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

C15H12BrFN4 — CID 80522775

IUPAC3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)ccc2Br)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12BrFN4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(17)4-5-12(11)16/h2-8H,18H2,1H3
InChIKeyDPESZBNNCFHCDO-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.63
Rot. Bonds2

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

3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80522775) has the molecular formula C15H12BrFN4 and a molecular weight of 347.19 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80522775
Molecular FormulaC15H12BrFN4
Molecular Weight347.19 g/mol
Exact Mass346.02
IUPAC Name3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)ccc2Br)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12BrFN4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(17)4-5-12(11)16/h2-8H,18H2,1H3
InChIKeyDPESZBNNCFHCDO-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-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 80522775) is 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(-c2cc(F)ccc2Br)c(-c2cccnc2)c1N.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is DPESZBNNCFHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(17)4-5-12(11)16/h2-8H,18H2,1H3.
What are the key properties of 3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-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-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80522775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).