4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine

C10H8Br2FN3 — CID 69237336

IUPAC4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C10H8Br2FN3/c1-16-10(7(12)5-14-16)15-9-3-2-6(11)4-8(9)13/h2-5,15H,1H3
InChIKeyBJAXVJDHIUCPTC-UHFFFAOYSA-N
MW349.00 g/mol
LogP3.83
Rot. Bonds2

About 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine

4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 69237336) has the molecular formula C10H8Br2FN3 and a molecular weight of 349.00 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID69237336
Molecular FormulaC10H8Br2FN3
Molecular Weight349.00 g/mol
Exact Mass346.91
IUPAC Name4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(Br)c1Nc1ccc(Br)cc1F
InChIInChI=1S/C10H8Br2FN3/c1-16-10(7(12)5-14-16)15-9-3-2-6(11)4-8(9)13/h2-5,15H,1H3
InChIKeyBJAXVJDHIUCPTC-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine (CID 69237336) is 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine is Cn1ncc(Br)c1Nc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is BJAXVJDHIUCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2FN3/c1-16-10(7(12)5-14-16)15-9-3-2-6(11)4-8(9)13/h2-5,15H,1H3.
What are the key properties of 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine?
4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine has a molecular weight of 349.00 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromo-2-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 69237336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).