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

C15H19BrFN3O — CID 114633372

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol
SMILESCN(C)CCn1ncc(Br)c1C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C15H19BrFN3O/c1-15(21,11-4-6-12(17)7-5-11)14-13(16)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3
InChIKeySJCPANBNVJLRHO-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.60
Rot. Bonds5

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

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 114633372) has the molecular formula C15H19BrFN3O and a molecular weight of 356.24 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol
PubChem CID114633372
Molecular FormulaC15H19BrFN3O
Molecular Weight356.24 g/mol
Exact Mass355.07
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol
SMILESCN(C)CCn1ncc(Br)c1C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C15H19BrFN3O/c1-15(21,11-4-6-12(17)7-5-11)14-13(16)10-18-20(14)9-8-19(2)3/h4-7,10,21H,8-9H2,1-3H3
InChIKeySJCPANBNVJLRHO-UHFFFAOYSA-N
XLogP2.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.60
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-bromophenyl)ethanol
CID 114633471
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
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-fluoropropan-1-amine
CID 114667784
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
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]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(2-fluorophenyl)ethanol
CID 114633412
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-hydroxypropanal
CID 114636632

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol (CID 114633372) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol is CN(C)CCn1ncc(Br)c1C(C)(O)c1ccc(F)cc1.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is SJCPANBNVJLRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3O/c1-15(21,11-4-6-12(17)7-5-11)14-13(16)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-fluorophenyl)ethanol?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 356.24 g/mol, XLogP of 2.60, 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-fluorophenyl)ethanol is sourced from PubChem (CID 114633372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).