(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol

C14H18BrN3O — CID 75428123

IUPAC(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cn1cc(Br)cn1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H18BrN3O/c1-11(8-18-9-13(15)7-16-18)17-14(10-19)12-5-3-2-4-6-12/h2-7,9,11,14,17,19H,8,10H2,1H3/t11?,14-/m1/s1
InChIKeyFQMRMDHIACMADC-SBXXRYSUSA-N
MW324.22 g/mol
LogP2.36
Rot. Bonds6

About (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol

(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol (PubChem CID 75428123) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol
PubChem CID75428123
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cn1cc(Br)cn1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H18BrN3O/c1-11(8-18-9-13(15)7-16-18)17-14(10-19)12-5-3-2-4-6-12/h2-7,9,11,14,17,19H,8,10H2,1H3/t11?,14-/m1/s1
InChIKeyFQMRMDHIACMADC-SBXXRYSUSA-N
XLogP2.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol 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

2-[[1-(4-Bromo-1H-pyrazol-1-yl)propan-2-yl]amino]-1-(3-methylphenyl)ethan-1-ol
CID 75441596
2-[3-(4-Methylpyrazol-1-yl)azetidin-1-yl]-1-phenylethanol
CID 53607212
1-(3,4-Difluorophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 53621988
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53622386
1-(4-Bromophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 53623200
1-(3-Bromophenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 56780231
1-(3-Bromophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828859
1-(3-Fluorophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828862
2-(3-Bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 75437757
3-(4-Fluorophenyl)-2-(3-pyrazol-1-ylpropylamino)propan-1-ol
CID 155119483
(3R)-3-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 75428333
1-Benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 75471481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol (CID 75428123) is (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol is CC(Cn1cc(Br)cn1)N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol?
The InChIKey is FQMRMDHIACMADC-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11(8-18-9-13(15)7-16-18)17-14(10-19)12-5-3-2-4-6-12/h2-7,9,11,14,17,19H,8,10H2,1H3/t11?,14-/m1/s1.
What are the key properties of (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol?
(2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol has a molecular weight of 324.22 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-2-phenylethanol is sourced from PubChem (CID 75428123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).