5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine

C13H15BrFN3 — CID 82972824

IUPAC5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2cc(Br)ccc2F)[nH]n1
InChIInChI=1S/C13H15BrFN3/c1-13(2,3)16-12-7-11(17-18-12)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyOABJDBZAGLJSSY-UHFFFAOYSA-N
MW312.19 g/mol
LogP4.19
Rot. Bonds2

About 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine

5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine (PubChem CID 82972824) has the molecular formula C13H15BrFN3 and a molecular weight of 312.19 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine
PubChem CID82972824
Molecular FormulaC13H15BrFN3
Molecular Weight312.19 g/mol
Exact Mass311.04
IUPAC Name5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(-c2cc(Br)ccc2F)[nH]n1
InChIInChI=1S/C13H15BrFN3/c1-13(2,3)16-12-7-11(17-18-12)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyOABJDBZAGLJSSY-UHFFFAOYSA-N
XLogP4.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-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-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine (CID 82972824) is 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(-c2cc(Br)ccc2F)[nH]n1.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
The InChIKey is OABJDBZAGLJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN3/c1-13(2,3)16-12-7-11(17-18-12)9-6-8(14)4-5-10(9)15/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine?
5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine has a molecular weight of 312.19 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-N-tert-butyl-1H-pyrazol-3-amine is sourced from PubChem (CID 82972824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).