3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol

C9H15BrN2O — CID 23006128

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
SMILESCc1nn(CC(C)CO)c(C)c1Br
InChIInChI=1S/C9H15BrN2O/c1-6(5-13)4-12-8(3)9(10)7(2)11-12/h6,13H,4-5H2,1-3H3
InChIKeyWIEVWAJKLKHQNP-UHFFFAOYSA-N
MW247.14 g/mol
LogP1.89
Rot. Bonds3

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol (PubChem CID 23006128) has the molecular formula C9H15BrN2O and a molecular weight of 247.14 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
PubChem CID23006128
Molecular FormulaC9H15BrN2O
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
SMILESCc1nn(CC(C)CO)c(C)c1Br
InChIInChI=1S/C9H15BrN2O/c1-6(5-13)4-12-8(3)9(10)7(2)11-12/h6,13H,4-5H2,1-3H3
InChIKeyWIEVWAJKLKHQNP-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol (CID 23006128) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol is Cc1nn(CC(C)CO)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
The InChIKey is WIEVWAJKLKHQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O/c1-6(5-13)4-12-8(3)9(10)7(2)11-12/h6,13H,4-5H2,1-3H3.
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol has a molecular weight of 247.14 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 23006128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).