4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine

C10H9BrFN3 — CID 7022270

IUPAC4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C10H9BrFN3/c11-9-6-15(14-10(9)13)5-7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H2,13,14)
InChIKeyVAOORTHDHRHKLD-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.42
Rot. Bonds2

About 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine

4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 7022270) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID7022270
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C10H9BrFN3/c11-9-6-15(14-10(9)13)5-7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H2,13,14)
InChIKeyVAOORTHDHRHKLD-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine (CID 7022270) is 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine is Nc1nn(Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is VAOORTHDHRHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-9-6-15(14-10(9)13)5-7-1-3-8(12)4-2-7/h1-4,6H,5H2,(H2,13,14).
What are the key properties of 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine?
4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 270.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 7022270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).