2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

C15H19BrN2O2 — CID 114633949

IUPAC2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCCn1ncc(Br)c1C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H19BrN2O2/c1-4-18-14(13(16)10-17-18)15(2,19)9-11-5-7-12(20-3)8-6-11/h5-8,10,19H,4,9H2,1-3H3
InChIKeyZDEJSXHOLLCWAO-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.12
Rot. Bonds5

About 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol

2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (PubChem CID 114633949) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
PubChem CID114633949
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
SMILESCCn1ncc(Br)c1C(C)(O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H19BrN2O2/c1-4-18-14(13(16)10-17-18)15(2,19)9-11-5-7-12(20-3)8-6-11/h5-8,10,19H,4,9H2,1-3H3
InChIKeyZDEJSXHOLLCWAO-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol (CID 114633949) is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is CCn1ncc(Br)c1C(C)(O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
The InChIKey is ZDEJSXHOLLCWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-4-18-14(13(16)10-17-18)15(2,19)9-11-5-7-12(20-3)8-6-11/h5-8,10,19H,4,9H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol?
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol has a molecular weight of 339.23 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 114633949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).