5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine

C7H7BrFN5 — CID 165499466

IUPAC5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESCn1ncc(-c2[nH]nc(N)c2F)c1Br
InChIInChI=1S/C7H7BrFN5/c1-14-6(8)3(2-11-14)5-4(9)7(10)13-12-5/h2H,1H3,(H3,10,12,13)
InChIKeyYTJSTDGYCXVPME-UHFFFAOYSA-N
MW260.07 g/mol
LogP1.29
Rot. Bonds1

About 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine

5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine (PubChem CID 165499466) has the molecular formula C7H7BrFN5 and a molecular weight of 260.07 g/mol. Its IUPAC name is 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
PubChem CID165499466
Molecular FormulaC7H7BrFN5
Molecular Weight260.07 g/mol
Exact Mass258.99
IUPAC Name5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
SMILESCn1ncc(-c2[nH]nc(N)c2F)c1Br
InChIInChI=1S/C7H7BrFN5/c1-14-6(8)3(2-11-14)5-4(9)7(10)13-12-5/h2H,1H3,(H3,10,12,13)
InChIKeyYTJSTDGYCXVPME-UHFFFAOYSA-N
XLogP1.29
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-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

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine (CID 165499466) is 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine is Cn1ncc(-c2[nH]nc(N)c2F)c1Br.
What is the InChIKey of 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
The InChIKey is YTJSTDGYCXVPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN5/c1-14-6(8)3(2-11-14)5-4(9)7(10)13-12-5/h2H,1H3,(H3,10,12,13).
What are the key properties of 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine?
5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine has a molecular weight of 260.07 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-methylpyrazol-4-yl)-4-fluoro-1H-pyrazol-3-amine is sourced from PubChem (CID 165499466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).