2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

C14H18BrN3O — CID 75437757

IUPAC2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCN(Cc1cnn(C)c1)C(CO)c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-17(8-11-7-16-18(2)9-11)14(10-19)12-4-3-5-13(15)6-12/h3-7,9,14,19H,8,10H2,1-2H3
InChIKeyYLYLBTKTPUWBTN-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.35
Rot. Bonds5

About 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (PubChem CID 75437757) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
PubChem CID75437757
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCN(Cc1cnn(C)c1)C(CO)c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-17(8-11-7-16-18(2)9-11)14(10-19)12-4-3-5-13(15)6-12/h3-7,9,14,19H,8,10H2,1-2H3
InChIKeyYLYLBTKTPUWBTN-UHFFFAOYSA-N
XLogP2.35
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (CID 75437757) is 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is CN(Cc1cnn(C)c1)C(CO)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is YLYLBTKTPUWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-17(8-11-7-16-18(2)9-11)14(10-19)12-4-3-5-13(15)6-12/h3-7,9,14,19H,8,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 75437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).