1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine

C10H8Br2FN3 — CID 126581471

IUPAC1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(-c2c(Br)cc(F)cc2Br)c1N
InChIInChI=1S/C10H8Br2FN3/c1-5-4-15-16(10(5)14)9-7(11)2-6(13)3-8(9)12/h2-4H,14H2,1H3
InChIKeyWNZYBJGJNCJFJM-UHFFFAOYSA-N
MW349.00 g/mol
LogP3.43
Rot. Bonds1

About 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine

1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine (PubChem CID 126581471) has the molecular formula C10H8Br2FN3 and a molecular weight of 349.00 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine
PubChem CID126581471
Molecular FormulaC10H8Br2FN3
Molecular Weight349.00 g/mol
Exact Mass346.91
IUPAC Name1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine
SMILESCc1cnn(-c2c(Br)cc(F)cc2Br)c1N
InChIInChI=1S/C10H8Br2FN3/c1-5-4-15-16(10(5)14)9-7(11)2-6(13)3-8(9)12/h2-4H,14H2,1H3
InChIKeyWNZYBJGJNCJFJM-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine?
The IUPAC name of 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine (CID 126581471) is 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine is Cc1cnn(-c2c(Br)cc(F)cc2Br)c1N.
What is the InChIKey of 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine?
The InChIKey is WNZYBJGJNCJFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2FN3/c1-5-4-15-16(10(5)14)9-7(11)2-6(13)3-8(9)12/h2-4H,14H2,1H3.
What are the key properties of 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine?
1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine has a molecular weight of 349.00 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-fluorophenyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 126581471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).