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

C15H19Br2N3O — CID 114637331

IUPAC[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2c(Br)cnn2CCN(C)C)ccc1Br
InChIInChI=1S/C15H19Br2N3O/c1-10-8-11(4-5-12(10)16)15(21)14-13(17)9-18-20(14)7-6-19(2)3/h4-5,8-9,15,21H,6-7H2,1-3H3
InChIKeySQCKTARUPKDKMP-UHFFFAOYSA-N
MW417.15 g/mol
LogP3.36
Rot. Bonds5

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

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol (PubChem CID 114637331) has the molecular formula C15H19Br2N3O and a molecular weight of 417.15 g/mol. Its IUPAC name is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol.

Molecular Properties

Compound Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
PubChem CID114637331
Molecular FormulaC15H19Br2N3O
Molecular Weight417.15 g/mol
Exact Mass414.99
IUPAC Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol
SMILESCc1cc(C(O)c2c(Br)cnn2CCN(C)C)ccc1Br
InChIInChI=1S/C15H19Br2N3O/c1-10-8-11(4-5-12(10)16)15(21)14-13(17)9-18-20(14)7-6-19(2)3/h4-5,8-9,15,21H,6-7H2,1-3H3
InChIKeySQCKTARUPKDKMP-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dimethylphenyl)methanol
CID 114634948
(3-bromo-4-methylphenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 115835104
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
(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
2-[5-[amino-(4-chloro-3-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041034
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-methylfuran-3-yl)methanol
CID 114645515
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[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-ethylpyrazol-3-yl)methanol
CID 114638722
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-iodophenyl)methanol
CID 115834987
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
CID 114635196

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol?
The IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol (CID 114637331) is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol.
What is the SMILES notation for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol?
The canonical SMILES for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol is Cc1cc(C(O)c2c(Br)cnn2CCN(C)C)ccc1Br.
What is the InChIKey of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol?
The InChIKey is SQCKTARUPKDKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3O/c1-10-8-11(4-5-12(10)16)15(21)14-13(17)9-18-20(14)7-6-19(2)3/h4-5,8-9,15,21H,6-7H2,1-3H3.
What are the key properties of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol?
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol has a molecular weight of 417.15 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-bromo-3-methylphenyl)methanol is sourced from PubChem (CID 114637331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).