[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine

C10H9BrFN3 — CID 115050299

IUPAC[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ccc(Br)cc2)c1F
InChIInChI=1S/C10H9BrFN3/c11-8-1-3-9(4-2-8)15-10(12)7(5-13)6-14-15/h1-4,6H,5,13H2
InChIKeyCPERGJKXOYFSEL-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.23
Rot. Bonds2

About [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine

[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine (PubChem CID 115050299) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine
PubChem CID115050299
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine
SMILESNCc1cnn(-c2ccc(Br)cc2)c1F
InChIInChI=1S/C10H9BrFN3/c11-8-1-3-9(4-2-8)15-10(12)7(5-13)6-14-15/h1-4,6H,5,13H2
InChIKeyCPERGJKXOYFSEL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine?
The IUPAC name of [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine (CID 115050299) is [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine is NCc1cnn(-c2ccc(Br)cc2)c1F.
What is the InChIKey of [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine?
The InChIKey is CPERGJKXOYFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-8-1-3-9(4-2-8)15-10(12)7(5-13)6-14-15/h1-4,6H,5,13H2.
What are the key properties of [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine?
[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine has a molecular weight of 270.11 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine is sourced from PubChem (CID 115050299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).