(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol

C11H12BrClN2O2 — CID 114634295

IUPAC(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrClN2O2/c1-6(2)15-10(7(13)5-14-15)11(16)8-3-4-9(12)17-8/h3-6,11,16H,1-2H3
InChIKeyXUFHOESTGWQMOI-UHFFFAOYSA-N
MW319.59 g/mol
LogP3.55
Rot. Bonds3

About (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol

(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 114634295) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID114634295
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccc(Br)o1
InChIInChI=1S/C11H12BrClN2O2/c1-6(2)15-10(7(13)5-14-15)11(16)8-3-4-9(12)17-8/h3-6,11,16H,1-2H3
InChIKeyXUFHOESTGWQMOI-UHFFFAOYSA-N
XLogP3.55
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538287
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 114634816
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637563
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dimethylphenyl)methanol
CID 114634943
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,4-dimethylphenyl)methanol
CID 114634928
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 164658431
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638156

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol (CID 114634295) is (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol is CC(C)n1ncc(Cl)c1C(O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is XUFHOESTGWQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c1-6(2)15-10(7(13)5-14-15)11(16)8-3-4-9(12)17-8/h3-6,11,16H,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol?
(5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 319.59 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 114634295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).