(2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol

C14H18BrN3O — CID 97331169

IUPAC(2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol
SMILESCN(CCn1cccn1)[C@@H](CO)c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-17(8-9-18-7-3-6-16-18)14(11-19)12-4-2-5-13(15)10-12/h2-7,10,14,19H,8-9,11H2,1H3/t14-/m0/s1
InChIKeyRQVWOFMOPWDHLZ-AWEZNQCLSA-N
MW324.22 g/mol
LogP2.31
Rot. Bonds6

About (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol

(2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol (PubChem CID 97331169) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol
PubChem CID97331169
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol
SMILESCN(CCn1cccn1)[C@@H](CO)c1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-17(8-9-18-7-3-6-16-18)14(11-19)12-4-2-5-13(15)10-12/h2-7,10,14,19H,8-9,11H2,1H3/t14-/m0/s1
InChIKeyRQVWOFMOPWDHLZ-AWEZNQCLSA-N
XLogP2.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-bromophenyl)-2-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]ethanol
CID 99610216
(2S)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 97341577
2-(3-bromophenyl)-2-phenylethanol
CID 118542656
1-(3-bromophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657494
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrazol-1-ylethyl)ethane-1,2-diamine
CID 61491656
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 119886219
2-[[2-amino-1-(3-bromophenyl)ethyl]-butylamino]ethanol
CID 55019534
(2R)-2-(2-chloro-6-fluorophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]acetic acid
CID 164642080
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
methyl 3-(3-bromophenyl)-3-(dimethylamino)propanoate
CID 116910238
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]benzoic acid
CID 136550505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol?
The IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol (CID 97331169) is (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol?
The canonical SMILES for (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol is CN(CCn1cccn1)[C@@H](CO)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol?
The InChIKey is RQVWOFMOPWDHLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-17(8-9-18-7-3-6-16-18)14(11-19)12-4-2-5-13(15)10-12/h2-7,10,14,19H,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol?
(2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-2-[methyl(2-pyrazol-1-ylethyl)amino]ethanol is sourced from PubChem (CID 97331169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).