5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine

C15H12BrFN4 — CID 118555279

IUPAC5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1cc(-c2ccnn2Cc2ccc(F)cc2)c(Br)cn1
InChIInChI=1S/C15H12BrFN4/c16-13-8-19-15(18)7-12(13)14-5-6-20-21(14)9-10-1-3-11(17)4-2-10/h1-8H,9H2,(H2,18,19)
InChIKeyJINRUXQOMNMUMZ-UHFFFAOYSA-N
MW347.19 g/mol
LogP3.48
Rot. Bonds3

About 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine

5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 118555279) has the molecular formula C15H12BrFN4 and a molecular weight of 347.19 g/mol. Its IUPAC name is 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine
PubChem CID118555279
Molecular FormulaC15H12BrFN4
Molecular Weight347.19 g/mol
Exact Mass346.02
IUPAC Name5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1cc(-c2ccnn2Cc2ccc(F)cc2)c(Br)cn1
InChIInChI=1S/C15H12BrFN4/c16-13-8-19-15(18)7-12(13)14-5-6-20-21(14)9-10-1-3-11(17)4-2-10/h1-8H,9H2,(H2,18,19)
InChIKeyJINRUXQOMNMUMZ-UHFFFAOYSA-N
XLogP3.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine (CID 118555279) is 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine is Nc1cc(-c2ccnn2Cc2ccc(F)cc2)c(Br)cn1.
What is the InChIKey of 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is JINRUXQOMNMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4/c16-13-8-19-15(18)7-12(13)14-5-6-20-21(14)9-10-1-3-11(17)4-2-10/h1-8H,9H2,(H2,18,19).
What are the key properties of 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine?
5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 347.19 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 118555279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).