(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol

C10H12BrN3O2 — CID 164719599

IUPAC(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cn(C)nc2Br)on1
InChIInChI=1S/C10H12BrN3O2/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3
InChIKeyIVRGFDJTEXXUPS-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.81
Rot. Bonds3

About (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol

(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol (PubChem CID 164719599) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
PubChem CID164719599
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol
SMILESCCc1cc(C(O)c2cn(C)nc2Br)on1
InChIInChI=1S/C10H12BrN3O2/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3
InChIKeyIVRGFDJTEXXUPS-UHFFFAOYSA-N
XLogP1.81
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol (CID 164719599) is (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol is CCc1cc(C(O)c2cn(C)nc2Br)on1.
What is the InChIKey of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol?
The InChIKey is IVRGFDJTEXXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-3-6-4-8(16-13-6)9(15)7-5-14(2)12-10(7)11/h4-5,9,15H,3H2,1-2H3.
What are the key properties of (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol?
(3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol has a molecular weight of 286.13 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1-methylpyrazol-4-yl)-(3-ethyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 164719599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).