2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol

C12H13BrN2O — CID 14568870

IUPAC2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESCC(CO)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C12H13BrN2O/c1-8(7-16)11-6-12(15-14-11)9-2-4-10(13)5-3-9/h2-6,8,16H,7H2,1H3,(H,14,15)
InChIKeyZIIIXYKEBYHRFY-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.93
Rot. Bonds3

About 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol

2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol (PubChem CID 14568870) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol
PubChem CID14568870
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol
SMILESCC(CO)c1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C12H13BrN2O/c1-8(7-16)11-6-12(15-14-11)9-2-4-10(13)5-3-9/h2-6,8,16H,7H2,1H3,(H,14,15)
InChIKeyZIIIXYKEBYHRFY-UHFFFAOYSA-N
XLogP2.93
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The IUPAC name of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol (CID 14568870) is 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol is CC(CO)c1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol?
The InChIKey is ZIIIXYKEBYHRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8(7-16)11-6-12(15-14-11)9-2-4-10(13)5-3-9/h2-6,8,16H,7H2,1H3,(H,14,15).
What are the key properties of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol?
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol has a molecular weight of 281.15 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 14568870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).