1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C12H14BrN3O — CID 103006837

IUPAC1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cncc(Br)c1
InChIInChI=1S/C12H14BrN3O/c1-16-11(4-5-15-16)2-3-12(17)9-6-10(13)8-14-7-9/h4-8,12,17H,2-3H2,1H3
InChIKeyJANPUVNEKWVKKF-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.24
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103006837) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103006837
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cncc(Br)c1
InChIInChI=1S/C12H14BrN3O/c1-16-11(4-5-15-16)2-3-12(17)9-6-10(13)8-14-7-9/h4-8,12,17H,2-3H2,1H3
InChIKeyJANPUVNEKWVKKF-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103005969
1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
1-(7-bromo-1,3-benzodioxol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005945
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
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3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfonylphenyl)propan-1-ol
CID 103028007
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103006160
1-(2,5-dimethylfuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027962
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
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5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103006837) is 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is JANPUVNEKWVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-11(4-5-15-16)2-3-12(17)9-6-10(13)8-14-7-9/h4-8,12,17H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 296.17 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103006837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).