2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol

C14H18BrN3O — CID 154781323

IUPAC2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNCc2c(Br)cnn2C)c1
InChIInChI=1S/C14H18BrN3O/c1-10-4-3-5-11(6-10)14(19)9-16-8-13-12(15)7-17-18(13)2/h3-7,14,16,19H,8-9H2,1-2H3
InChIKeyIZEBPXCDRJAMJT-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.31
Rot. Bonds5

About 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol

2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol (PubChem CID 154781323) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol
PubChem CID154781323
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(O)CNCc2c(Br)cnn2C)c1
InChIInChI=1S/C14H18BrN3O/c1-10-4-3-5-11(6-10)14(19)9-16-8-13-12(15)7-17-18(13)2/h3-7,14,16,19H,8-9H2,1-2H3
InChIKeyIZEBPXCDRJAMJT-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
2-(4-bromopyrazol-1-yl)-1-(3-methylphenyl)ethanol
CID 115051707
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
2-[2-(dimethylamino)ethylamino]-1-(3-methylphenyl)ethanol
CID 112501466
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 114667316
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylphenyl)methanamine
CID 114646776
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol?
The IUPAC name of 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol (CID 154781323) is 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol?
The canonical SMILES for 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol is Cc1cccc(C(O)CNCc2c(Br)cnn2C)c1.
What is the InChIKey of 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol?
The InChIKey is IZEBPXCDRJAMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10-4-3-5-11(6-10)14(19)9-16-8-13-12(15)7-17-18(13)2/h3-7,14,16,19H,8-9H2,1-2H3.
What are the key properties of 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol?
2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-methylpyrazol-5-yl)methylamino]-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 154781323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).