(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol

C14H16Br2ClN3O — CID 114638567

IUPAC(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
SMILESCN(C)CCn1ncc(Br)c1C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16Br2ClN3O/c1-19(2)5-6-20-13(11(16)8-18-20)14(21)10-4-3-9(15)7-12(10)17/h3-4,7-8,14,21H,5-6H2,1-2H3
InChIKeyXWSAYGZJIQGLSK-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.70
Rot. Bonds5

About (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol

(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol (PubChem CID 114638567) has the molecular formula C14H16Br2ClN3O and a molecular weight of 437.56 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
PubChem CID114638567
Molecular FormulaC14H16Br2ClN3O
Molecular Weight437.56 g/mol
Exact Mass434.93
IUPAC Name(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
SMILESCN(C)CCn1ncc(Br)c1C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16Br2ClN3O/c1-19(2)5-6-20-13(11(16)8-18-20)14(21)10-4-3-9(15)7-12(10)17/h3-4,7-8,14,21H,5-6H2,1-2H3
InChIKeyXWSAYGZJIQGLSK-UHFFFAOYSA-N
XLogP3.70
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-chloro-4-methylphenyl)methanol
CID 106859518
(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]-(2-bromophenyl)methanol
CID 114634904
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dichlorothiophen-3-yl)methanol
CID 107969895
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dimethylphenyl)methanol
CID 114634948
[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-methylfuran-3-yl)methanol
CID 114645515
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylpyrazol-3-yl)methanol
CID 114638722
(2-bromofuran-3-yl)-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol
CID 106859519

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
The IUPAC name of (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol (CID 114638567) is (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
The canonical SMILES for (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol is CN(C)CCn1ncc(Br)c1C(O)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
The InChIKey is XWSAYGZJIQGLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2ClN3O/c1-19(2)5-6-20-13(11(16)8-18-20)14(21)10-4-3-9(15)7-12(10)17/h3-4,7-8,14,21H,5-6H2,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol?
(4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol has a molecular weight of 437.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 114638567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).