2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol

C15H20BrN3O — CID 75441596

IUPAC2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNC(C)Cn2cc(Br)cn2)c1
InChIInChI=1S/C15H20BrN3O/c1-11-4-3-5-13(6-11)15(20)8-17-12(2)9-19-10-14(16)7-18-19/h3-7,10,12,15,17,20H,8-9H2,1-2H3
InChIKeyBLFGTAQSVKBEHM-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.67
Rot. Bonds6

About 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol

2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol (PubChem CID 75441596) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
PubChem CID75441596
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNC(C)Cn2cc(Br)cn2)c1
InChIInChI=1S/C15H20BrN3O/c1-11-4-3-5-13(6-11)15(20)8-17-12(2)9-19-10-14(16)7-18-19/h3-7,10,12,15,17,20H,8-9H2,1-2H3
InChIKeyBLFGTAQSVKBEHM-UHFFFAOYSA-N
XLogP2.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(1H-pyrazol-1-yl)ethanol
CID 3245641
1-(2,4-Dimethylphenyl)-2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 46956904
1-(3,4-Dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 48076344
2-(2-Pyrazol-1-ylethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53536747
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
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
1-(3,4-Dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
1-(3-Bromophenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56828859

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol (CID 75441596) is 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNC(C)Cn2cc(Br)cn2)c1.
What is the InChIKey of 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol?
The InChIKey is BLFGTAQSVKBEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-11-4-3-5-13(6-11)15(20)8-17-12(2)9-19-10-14(16)7-18-19/h3-7,10,12,15,17,20H,8-9H2,1-2H3.
What are the key properties of 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol?
2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol has a molecular weight of 338.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 75441596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).