[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol

C12H13BrN2O — CID 62128391

IUPAC[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol
SMILESCc1nn(-c2ccccc2CO)c(C)c1Br
InChIInChI=1S/C12H13BrN2O/c1-8-12(13)9(2)15(14-8)11-6-4-3-5-10(11)7-16/h3-6,16H,7H2,1-2H3
InChIKeyMZRKKEWYBZYULV-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.74
Rot. Bonds2

About [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol

[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol (PubChem CID 62128391) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol
PubChem CID62128391
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol
SMILESCc1nn(-c2ccccc2CO)c(C)c1Br
InChIInChI=1S/C12H13BrN2O/c1-8-12(13)9(2)15(14-8)11-6-4-3-5-10(11)7-16/h3-6,16H,7H2,1-2H3
InChIKeyMZRKKEWYBZYULV-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol (CID 62128391) is [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol is Cc1nn(-c2ccccc2CO)c(C)c1Br.
What is the InChIKey of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol?
The InChIKey is MZRKKEWYBZYULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8-12(13)9(2)15(14-8)11-6-4-3-5-10(11)7-16/h3-6,16H,7H2,1-2H3.
What are the key properties of [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol?
[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol has a molecular weight of 281.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 62128391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).