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1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol

C14H17BrN2O2 — CID 116801996

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCCCn1cc(Oc2ccc(Br)cc2C(C)O)cn1
InChIInChI=1S/C14H17BrN2O2/c1-3-6-17-9-12(8-16-17)19-14-5-4-11(15)7-13(14)10(2)18/h4-5,7-10,18H,3,6H2,1-2H3
InChIKeyXZJYWOCXPMTXLT-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.90
Rot. Bonds5

About 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol

1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol (PubChem CID 116801996) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
PubChem CID116801996
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCCCn1cc(Oc2ccc(Br)cc2C(C)O)cn1
InChIInChI=1S/C14H17BrN2O2/c1-3-6-17-9-12(8-16-17)19-14-5-4-11(15)7-13(14)10(2)18/h4-5,7-10,18H,3,6H2,1-2H3
InChIKeyXZJYWOCXPMTXLT-UHFFFAOYSA-N
XLogP3.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol?
The IUPAC name of 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol (CID 116801996) is 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol?
The canonical SMILES for 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol is CCCn1cc(Oc2ccc(Br)cc2C(C)O)cn1.
What is the InChIKey of 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol?
The InChIKey is XZJYWOCXPMTXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-6-17-9-12(8-16-17)19-14-5-4-11(15)7-13(14)10(2)18/h4-5,7-10,18H,3,6H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol?
1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(1-propylpyrazol-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 116801996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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