(1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol

C12H14BrN3O — CID 83125276

IUPAC(1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol
SMILESCc1nn(-c2ccc([C@@H](C)O)nc2)c(C)c1Br
InChIInChI=1S/C12H14BrN3O/c1-7-12(13)8(2)16(15-7)10-4-5-11(9(3)17)14-6-10/h4-6,9,17H,1-3H3/t9-/m1/s1
InChIKeyUKBUUWNIXYFZDQ-SECBINFHSA-N
MW296.17 g/mol
LogP2.70
Rot. Bonds2

About (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol

(1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol (PubChem CID 83125276) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol
PubChem CID83125276
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name(1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol
SMILESCc1nn(-c2ccc([C@@H](C)O)nc2)c(C)c1Br
InChIInChI=1S/C12H14BrN3O/c1-7-12(13)8(2)16(15-7)10-4-5-11(9(3)17)14-6-10/h4-6,9,17H,1-3H3/t9-/m1/s1
InChIKeyUKBUUWNIXYFZDQ-SECBINFHSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol (CID 83125276) is (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol is Cc1nn(-c2ccc([C@@H](C)O)nc2)c(C)c1Br.
What is the InChIKey of (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol?
The InChIKey is UKBUUWNIXYFZDQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7-12(13)8(2)16(15-7)10-4-5-11(9(3)17)14-6-10/h4-6,9,17H,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol?
(1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol has a molecular weight of 296.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).