[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol

C11H14BrClN4OS — CID 107124936

IUPAC[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol
SMILESCN(C)CCn1ncc(Br)c1C(O)c1ncc(Cl)s1
InChIInChI=1S/C11H14BrClN4OS/c1-16(2)3-4-17-9(7(12)5-15-17)10(18)11-14-6-8(13)19-11/h5-6,10,18H,3-4H2,1-2H3
InChIKeyBUOXFZIEJXCGDY-UHFFFAOYSA-N
MW365.68 g/mol
LogP2.40
Rot. Bonds5

About [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol (PubChem CID 107124936) has the molecular formula C11H14BrClN4OS and a molecular weight of 365.68 g/mol. Its IUPAC name is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol
PubChem CID107124936
Molecular FormulaC11H14BrClN4OS
Molecular Weight365.68 g/mol
Exact Mass363.98
IUPAC Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol
SMILESCN(C)CCn1ncc(Br)c1C(O)c1ncc(Cl)s1
InChIInChI=1S/C11H14BrClN4OS/c1-16(2)3-4-17-9(7(12)5-15-17)10(18)11-14-6-8(13)19-11/h5-6,10,18H,3-4H2,1-2H3
InChIKeyBUOXFZIEJXCGDY-UHFFFAOYSA-N
XLogP2.40
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 107969895
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 114638567
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
CID 114635196
(2-amino-4-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 114643754
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105127904
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
CID 114637331
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-iodophenyl)methanol
CID 115834987
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylpyrazol-3-yl)methanol
CID 114638722
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dimethylphenyl)methanol
CID 114634948

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol?
The IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol (CID 107124936) is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol?
The canonical SMILES for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol is CN(C)CCn1ncc(Br)c1C(O)c1ncc(Cl)s1.
What is the InChIKey of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol?
The InChIKey is BUOXFZIEJXCGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4OS/c1-16(2)3-4-17-9(7(12)5-15-17)10(18)11-14-6-8(13)19-11/h5-6,10,18H,3-4H2,1-2H3.
What are the key properties of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol?
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol has a molecular weight of 365.68 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-chloro-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 107124936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).