1-(3-bromophenyl)-5-fluoropyrazol-4-amine

C9H7BrFN3 — CID 115047671

IUPAC1-(3-bromophenyl)-5-fluoropyrazol-4-amine
SMILESNc1cnn(-c2cccc(Br)c2)c1F
InChIInChI=1S/C9H7BrFN3/c10-6-2-1-3-7(4-6)14-9(11)8(12)5-13-14/h1-5H,12H2
InChIKeyJKFLXWQTJJBFPI-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.36
Rot. Bonds1

About 1-(3-bromophenyl)-5-fluoropyrazol-4-amine

1-(3-bromophenyl)-5-fluoropyrazol-4-amine (PubChem CID 115047671) has the molecular formula C9H7BrFN3 and a molecular weight of 256.08 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-fluoropyrazol-4-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-fluoropyrazol-4-amine
PubChem CID115047671
Molecular FormulaC9H7BrFN3
Molecular Weight256.08 g/mol
Exact Mass254.98
IUPAC Name1-(3-bromophenyl)-5-fluoropyrazol-4-amine
SMILESNc1cnn(-c2cccc(Br)c2)c1F
InChIInChI=1S/C9H7BrFN3/c10-6-2-1-3-7(4-6)14-9(11)8(12)5-13-14/h1-5H,12H2
InChIKeyJKFLXWQTJJBFPI-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-fluoropyrazol-4-amine?
The IUPAC name of 1-(3-bromophenyl)-5-fluoropyrazol-4-amine (CID 115047671) is 1-(3-bromophenyl)-5-fluoropyrazol-4-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-fluoropyrazol-4-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-fluoropyrazol-4-amine is Nc1cnn(-c2cccc(Br)c2)c1F.
What is the InChIKey of 1-(3-bromophenyl)-5-fluoropyrazol-4-amine?
The InChIKey is JKFLXWQTJJBFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3/c10-6-2-1-3-7(4-6)14-9(11)8(12)5-13-14/h1-5H,12H2.
What are the key properties of 1-(3-bromophenyl)-5-fluoropyrazol-4-amine?
1-(3-bromophenyl)-5-fluoropyrazol-4-amine has a molecular weight of 256.08 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-fluoropyrazol-4-amine is sourced from PubChem (CID 115047671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).