5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol

C12H14BrN3O — CID 153296762

IUPAC5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol
SMILESCCc1cc(-c2ncc(Br)cc2O)n(CC)n1
InChIInChI=1S/C12H14BrN3O/c1-3-9-6-10(16(4-2)15-9)12-11(17)5-8(13)7-14-12/h5-7,17H,3-4H2,1-2H3
InChIKeyXKQYAMSULKAVLB-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol

5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol (PubChem CID 153296762) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol
PubChem CID153296762
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol
SMILESCCc1cc(-c2ncc(Br)cc2O)n(CC)n1
InChIInChI=1S/C12H14BrN3O/c1-3-9-6-10(16(4-2)15-9)12-11(17)5-8(13)7-14-12/h5-7,17H,3-4H2,1-2H3
InChIKeyXKQYAMSULKAVLB-UHFFFAOYSA-N
XLogP3.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(5-bromo-3-hydroxy-2-pyridinyl)-1-ethylpyrazole-3-carboxylate
CID 146285920
5-(4-bromo-2-ethylphenyl)-1,3-diethylpyrazole
CID 153295952
2-amino-5-bromopyridin-3-ol;3-ethyl-1-methylpyrazole
CID 164859709
5-(4-bromo-2-propan-2-ylphenyl)-1,3-diethylpyrazole
CID 153295847
5-(1,3-diethylpyrazol-5-yl)-3H-1,3,4-thiadiazole-2-thione
CID 23007186
N-[2-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 66120641
1-(1,3-diethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 105133593
2-(4-bromophenyl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105077466
5-(1,3-diethylpyrazol-5-yl)-1,3,4-oxadiazol-2-amine
CID 66121190
2-amino-2-[5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633387
3-(1,3-diethylpyrazol-5-yl)-4-propyl-1,2,4-triazole
CID 115395097
7-bromo-3-ethylpyrido[2,3-b]pyrazine
CID 175916445

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol?
The IUPAC name of 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol (CID 153296762) is 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol?
The canonical SMILES for 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol is CCc1cc(-c2ncc(Br)cc2O)n(CC)n1.
What is the InChIKey of 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol?
The InChIKey is XKQYAMSULKAVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-3-9-6-10(16(4-2)15-9)12-11(17)5-8(13)7-14-12/h5-7,17H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol?
5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol has a molecular weight of 296.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,3-diethylpyrazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 153296762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).