(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol

C7H11BrN2O — CID 155904902

IUPAC(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol
SMILESC[C@H]([C@@H](C)O)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3/t5-,6-/m1/s1
InChIKeyOFXIYXXRVYMDKK-PHDIDXHHSA-N
MW219.08 g/mol
LogP1.59
Rot. Bonds2

About (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol

(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol (PubChem CID 155904902) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol
PubChem CID155904902
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol
SMILESC[C@H]([C@@H](C)O)n1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3/t5-,6-/m1/s1
InChIKeyOFXIYXXRVYMDKK-PHDIDXHHSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol (CID 155904902) is (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol is C[C@H]([C@@H](C)O)n1cc(Br)cn1.
What is the InChIKey of (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol?
The InChIKey is OFXIYXXRVYMDKK-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-5(6(2)11)10-4-7(8)3-9-10/h3-6,11H,1-2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol?
(2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol has a molecular weight of 219.08 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-bromopyrazol-1-yl)butan-2-ol is sourced from PubChem (CID 155904902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).