1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine

C10H9BrFN3 — CID 43438686

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C10H9BrFN3/c11-8-2-1-7(10(12)3-8)5-15-6-9(13)4-14-15/h1-4,6H,5,13H2
InChIKeyYWXJJIYHVSJVMG-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.42
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine

1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine (PubChem CID 43438686) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine
PubChem CID43438686
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2ccc(Br)cc2F)c1
InChIInChI=1S/C10H9BrFN3/c11-8-2-1-7(10(12)3-8)5-15-6-9(13)4-14-15/h1-4,6H,5,13H2
InChIKeyYWXJJIYHVSJVMG-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 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine (CID 43438686) is 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine is Nc1cnn(Cc2ccc(Br)cc2F)c1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is YWXJJIYHVSJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-8-2-1-7(10(12)3-8)5-15-6-9(13)4-14-15/h1-4,6H,5,13H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine?
1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-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 1-[(4-bromo-2-fluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43438686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).