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

C8H13BrN2O — CID 106932965

IUPAC(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(C[C@@H](C)O)c(C)c1Br
InChIInChI=1S/C8H13BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h5,12H,4H2,1-3H3/t5-/m1/s1
InChIKeyYZCWVVVBXCYWIO-RXMQYKEDSA-N
MW233.11 g/mol
LogP1.64
Rot. Bonds2

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

(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 106932965) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID106932965
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1nn(C[C@@H](C)O)c(C)c1Br
InChIInChI=1S/C8H13BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h5,12H,4H2,1-3H3/t5-/m1/s1
InChIKeyYZCWVVVBXCYWIO-RXMQYKEDSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 106932965) is (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1nn(C[C@@H](C)O)c(C)c1Br.
What is the InChIKey of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is YZCWVVVBXCYWIO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-5(12)4-11-7(3)8(9)6(2)10-11/h5,12H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol?
(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 233.11 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 106932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).