(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine

C12H12BrF2N3 — CID 141342108

IUPAC(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine
SMILESC[C@](N)(Cn1cc(F)cn1)c1cc(Br)ccc1F
InChIInChI=1S/C12H12BrF2N3/c1-12(16,7-18-6-9(14)5-17-18)10-4-8(13)2-3-11(10)15/h2-6H,7,16H2,1H3/t12-/m0/s1
InChIKeyUEBOZRPVYURNPA-LBPRGKRZSA-N
MW316.15 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine

(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine (PubChem CID 141342108) has the molecular formula C12H12BrF2N3 and a molecular weight of 316.15 g/mol. Its IUPAC name is (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine
PubChem CID141342108
Molecular FormulaC12H12BrF2N3
Molecular Weight316.15 g/mol
Exact Mass315.02
IUPAC Name(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine
SMILESC[C@](N)(Cn1cc(F)cn1)c1cc(Br)ccc1F
InChIInChI=1S/C12H12BrF2N3/c1-12(16,7-18-6-9(14)5-17-18)10-4-8(13)2-3-11(10)15/h2-6H,7,16H2,1H3/t12-/m0/s1
InChIKeyUEBOZRPVYURNPA-LBPRGKRZSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(5-bromo-2-fluorophenyl)-1-(5-ethyl-4-methylimidazol-1-yl)propan-2-amine
CID 121298024
methyl 3-[2-amino-2-(5-bromo-2-fluorophenyl)propyl]triazole-4-carboxylate
CID 121317223
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828
3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 137405485
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325
1-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]piperazine
CID 116829830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine (CID 141342108) is (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine is C[C@](N)(Cn1cc(F)cn1)c1cc(Br)ccc1F.
What is the InChIKey of (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine?
The InChIKey is UEBOZRPVYURNPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12BrF2N3/c1-12(16,7-18-6-9(14)5-17-18)10-4-8(13)2-3-11(10)15/h2-6H,7,16H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine?
(2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine has a molecular weight of 316.15 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-2-fluorophenyl)-1-(4-fluoropyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 141342108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).