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

C11H11BrN2O — CID 14568867

IUPAC2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C11H11BrN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-15)13-14-11/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyPCRKOGNQTAGQAI-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.37
Rot. Bonds3

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

2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol (PubChem CID 14568867) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol
PubChem CID14568867
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol
SMILESOCCc1cc(-c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C11H11BrN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-15)13-14-11/h1-4,7,15H,5-6H2,(H,13,14)
InChIKeyPCRKOGNQTAGQAI-UHFFFAOYSA-N
XLogP2.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.37
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]ethanol?
The IUPAC name of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol (CID 14568867) is 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol?
The canonical SMILES for 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol is OCCc1cc(-c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol?
The InChIKey is PCRKOGNQTAGQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-9-3-1-8(2-4-9)11-7-10(5-6-15)13-14-11/h1-4,7,15H,5-6H2,(H,13,14).
What are the key properties of 2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol?
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]ethanol has a molecular weight of 267.13 g/mol, XLogP of 2.37, 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]ethanol is sourced from PubChem (CID 14568867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).