(4-bromo-1,5-dimethylpyrazol-3-yl)methanol

C6H9BrN2O — CID 68938159

IUPAC(4-bromo-1,5-dimethylpyrazol-3-yl)methanol
SMILESCc1c(Br)c(CO)nn1C
InChIInChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10)8-9(4)2/h10H,3H2,1-2H3
InChIKeyXSECUJSMUXCNJW-UHFFFAOYSA-N
MW205.05 g/mol
LogP0.98
Rot. Bonds1

About (4-bromo-1,5-dimethylpyrazol-3-yl)methanol

(4-bromo-1,5-dimethylpyrazol-3-yl)methanol (PubChem CID 68938159) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is (4-bromo-1,5-dimethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1,5-dimethylpyrazol-3-yl)methanol
PubChem CID68938159
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name(4-bromo-1,5-dimethylpyrazol-3-yl)methanol
SMILESCc1c(Br)c(CO)nn1C
InChIInChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10)8-9(4)2/h10H,3H2,1-2H3
InChIKeyXSECUJSMUXCNJW-UHFFFAOYSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2776363
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(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
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2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19619764
(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)methanol
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(4-bromo-5-ethyl-1-methyl-1H-pyrazol-3-yl)methanol
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1-Methyl-3,5-bis(hydroxymethyl)-pyrazole
CID 84648737
(4-Ethyl-5-fluoro-1-methylpyrazol-3-yl)methanol
CID 68381609
[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 70851934
1-[4-Bromo-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 71055438
1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromo-1,5-dimethylpyrazol-3-yl)methanol (CID 68938159) is (4-bromo-1,5-dimethylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromo-1,5-dimethylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromo-1,5-dimethylpyrazol-3-yl)methanol is Cc1c(Br)c(CO)nn1C.
What is the InChIKey of (4-bromo-1,5-dimethylpyrazol-3-yl)methanol?
The InChIKey is XSECUJSMUXCNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-4-6(7)5(3-10)8-9(4)2/h10H,3H2,1-2H3.
What are the key properties of (4-bromo-1,5-dimethylpyrazol-3-yl)methanol?
(4-bromo-1,5-dimethylpyrazol-3-yl)methanol has a molecular weight of 205.05 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,5-dimethylpyrazol-3-yl)methanol is sourced from PubChem (CID 68938159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).