1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol

C15H19Br2N3O — CID 114633471

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
SMILESCN(C)CCn1ncc(Br)c1C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C15H19Br2N3O/c1-15(21,11-4-6-12(16)7-5-11)14-13(17)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3
InChIKeyHDLBKZVHWQVRNI-UHFFFAOYSA-N
MW417.15 g/mol
LogP3.23
Rot. Bonds5

About 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol (PubChem CID 114633471) has the molecular formula C15H19Br2N3O and a molecular weight of 417.15 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
PubChem CID114633471
Molecular FormulaC15H19Br2N3O
Molecular Weight417.15 g/mol
Exact Mass414.99
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
SMILESCN(C)CCn1ncc(Br)c1C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C15H19Br2N3O/c1-15(21,11-4-6-12(16)7-5-11)14-13(17)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3
InChIKeyHDLBKZVHWQVRNI-UHFFFAOYSA-N
XLogP3.23
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol
CID 114633372
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1,1-dimethoxypropan-2-ol
CID 114636618
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
CID 114667784
1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
CID 114633474
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromophenyl)methanone
CID 114638819
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol (CID 114633471) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol is CN(C)CCn1ncc(Br)c1C(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol?
The InChIKey is HDLBKZVHWQVRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3O/c1-15(21,11-4-6-12(16)7-5-11)14-13(17)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3.
What are the key properties of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol has a molecular weight of 417.15 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol is sourced from PubChem (CID 114633471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).