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

C12H13BrN2O2 — CID 115069018

IUPAC2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
SMILESCOc1c(CCO)cnn1-c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O2/c1-17-12-9(5-6-16)8-14-15(12)11-4-2-3-10(13)7-11/h2-4,7-8,16H,5-6H2,1H3
InChIKeyDQLAMQIGORTEKM-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.18
Rot. Bonds4

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

2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol (PubChem CID 115069018) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
PubChem CID115069018
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol
SMILESCOc1c(CCO)cnn1-c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O2/c1-17-12-9(5-6-16)8-14-15(12)11-4-2-3-10(13)7-11/h2-4,7-8,16H,5-6H2,1H3
InChIKeyDQLAMQIGORTEKM-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol (CID 115069018) is 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol is COc1c(CCO)cnn1-c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol?
The InChIKey is DQLAMQIGORTEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-17-12-9(5-6-16)8-14-15(12)11-4-2-3-10(13)7-11/h2-4,7-8,16H,5-6H2,1H3.
What are the key properties of 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol?
2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol has a molecular weight of 297.15 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)-5-methoxypyrazol-4-yl]ethanol is sourced from PubChem (CID 115069018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).