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

C14H20BrN3O2 — CID 114635196

IUPAC[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2c(Br)cnn2CCN(C)C)o1
InChIInChI=1S/C14H20BrN3O2/c1-4-10-5-6-12(20-10)14(19)13-11(15)9-16-18(13)8-7-17(2)3/h5-6,9,14,19H,4,7-8H2,1-3H3
InChIKeyFLSDJRKSXQOBPM-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.44
Rot. Bonds6

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

[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol (PubChem CID 114635196) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol.

Molecular Properties

Compound Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
PubChem CID114635196
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)c2c(Br)cnn2CCN(C)C)o1
InChIInChI=1S/C14H20BrN3O2/c1-4-10-5-6-12(20-10)14(19)13-11(15)9-16-18(13)8-7-17(2)3/h5-6,9,14,19H,4,7-8H2,1-3H3
InChIKeyFLSDJRKSXQOBPM-UHFFFAOYSA-N
XLogP2.44
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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-bromophenyl)methanol
CID 114634904
(5-bromofuran-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114634300
[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]butan-1-ol
CID 114635495
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 105127910
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-iodophenyl)methanol
CID 115834987
[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]-(5-chloro-1,3-thiazol-2-yl)methanol
CID 107124936
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675

Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol?
The IUPAC name of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol (CID 114635196) is [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol.
What is the SMILES notation for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol?
The canonical SMILES for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol is CCc1ccc(C(O)c2c(Br)cnn2CCN(C)C)o1.
What is the InChIKey of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol?
The InChIKey is FLSDJRKSXQOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-4-10-5-6-12(20-10)14(19)13-11(15)9-16-18(13)8-7-17(2)3/h5-6,9,14,19H,4,7-8H2,1-3H3.
What are the key properties of [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol?
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol has a molecular weight of 342.24 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-ethylfuran-2-yl)methanol is sourced from PubChem (CID 114635196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).