1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol

C15H19BrN2O2 — CID 114633474

IUPAC1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(OC)c1C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O2/c1-4-9-18-14(13(20-3)10-17-18)15(2,19)11-5-7-12(16)8-6-11/h5-8,10,19H,4,9H2,1-3H3
InChIKeyUOEGNVARSWICCW-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol

1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol (PubChem CID 114633474) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
PubChem CID114633474
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol
SMILESCCCn1ncc(OC)c1C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O2/c1-4-9-18-14(13(20-3)10-17-18)15(2,19)11-5-7-12(16)8-6-11/h5-8,10,19H,4,9H2,1-3H3
InChIKeyUOEGNVARSWICCW-UHFFFAOYSA-N
XLogP3.32
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
1-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114637758
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-(4-bromophenyl)ethanol
CID 114633471
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
4-[1-hydroxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]benzonitrile
CID 114637601
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
(2-amino-4-bromophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114670253

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol (CID 114633474) is 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol is CCCn1ncc(OC)c1C(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol?
The InChIKey is UOEGNVARSWICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-9-18-14(13(20-3)10-17-18)15(2,19)11-5-7-12(16)8-6-11/h5-8,10,19H,4,9H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol?
1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol has a molecular weight of 339.23 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114633474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).