(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol

C12H13Br2N3O — CID 114638199

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1ccc(Br)cn1
InChIInChI=1S/C12H13Br2N3O/c1-7(2)17-11(9(14)6-16-17)12(18)10-4-3-8(13)5-15-10/h3-7,12,18H,1-2H3
InChIKeyODFBIJUHOBSVBG-UHFFFAOYSA-N
MW375.06 g/mol
LogP3.47
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol (PubChem CID 114638199) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
PubChem CID114638199
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1ccc(Br)cn1
InChIInChI=1S/C12H13Br2N3O/c1-7(2)17-11(9(14)6-16-17)12(18)10-4-3-8(13)5-15-10/h3-7,12,18H,1-2H3
InChIKeyODFBIJUHOBSVBG-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanol
CID 106756354
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol
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1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
(2-bromo-6-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114885779
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylfuran-2-yl)methanol
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1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
CID 103456487
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methanol
CID 115835323
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol (CID 114638199) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol is CC(C)n1ncc(Br)c1C(O)c1ccc(Br)cn1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol?
The InChIKey is ODFBIJUHOBSVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O/c1-7(2)17-11(9(14)6-16-17)12(18)10-4-3-8(13)5-15-10/h3-7,12,18H,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol has a molecular weight of 375.06 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-bromo-2-pyridinyl)methanol is sourced from PubChem (CID 114638199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).