5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C14H10BrFN4 — CID 107955203

IUPAC5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Br)c2F)c1-c1ccncc1
InChIInChI=1S/C14H10BrFN4/c15-10-3-1-2-9(12(10)16)13-11(14(17)20-19-13)8-4-6-18-7-5-8/h1-7H,(H3,17,19,20)
InChIKeyAGIWSGVTSMHSHI-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.62
Rot. Bonds2

About 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 107955203) has the molecular formula C14H10BrFN4 and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID107955203
Molecular FormulaC14H10BrFN4
Molecular Weight333.16 g/mol
Exact Mass332.01
IUPAC Name5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cccc(Br)c2F)c1-c1ccncc1
InChIInChI=1S/C14H10BrFN4/c15-10-3-1-2-9(12(10)16)13-11(14(17)20-19-13)8-4-6-18-7-5-8/h1-7H,(H3,17,19,20)
InChIKeyAGIWSGVTSMHSHI-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524690
4-phenyl-5-(2,3,4-trifluorophenyl)-1H-pyrazol-3-amine
CID 79754898
5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104853091
5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80523543
4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
CID 62829642
5-(2-bromo-4-fluorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523751
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
5-(furan-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524531

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 107955203) is 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cccc(Br)c2F)c1-c1ccncc1.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is AGIWSGVTSMHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4/c15-10-3-1-2-9(12(10)16)13-11(14(17)20-19-13)8-4-6-18-7-5-8/h1-7H,(H3,17,19,20).
What are the key properties of 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 333.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 107955203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).