(5-bromo-1-tert-butylpyrazol-4-yl)methanol

C8H13BrN2O — CID 67491360

IUPAC(5-bromo-1-tert-butylpyrazol-4-yl)methanol
SMILESCC(C)(C)n1ncc(CO)c1Br
InChIInChI=1S/C8H13BrN2O/c1-8(2,3)11-7(9)6(5-12)4-10-11/h4,12H,5H2,1-3H3
InChIKeyURJPEAYLOXTYED-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.89
Rot. Bonds1

About (5-bromo-1-tert-butylpyrazol-4-yl)methanol

(5-bromo-1-tert-butylpyrazol-4-yl)methanol (PubChem CID 67491360) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is (5-bromo-1-tert-butylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1-tert-butylpyrazol-4-yl)methanol
PubChem CID67491360
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name(5-bromo-1-tert-butylpyrazol-4-yl)methanol
SMILESCC(C)(C)n1ncc(CO)c1Br
InChIInChI=1S/C8H13BrN2O/c1-8(2,3)11-7(9)6(5-12)4-10-11/h4,12H,5H2,1-3H3
InChIKeyURJPEAYLOXTYED-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-tert-butylpyrazol-4-yl)methanol?
The IUPAC name of (5-bromo-1-tert-butylpyrazol-4-yl)methanol (CID 67491360) is (5-bromo-1-tert-butylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-1-tert-butylpyrazol-4-yl)methanol?
The canonical SMILES for (5-bromo-1-tert-butylpyrazol-4-yl)methanol is CC(C)(C)n1ncc(CO)c1Br.
What is the InChIKey of (5-bromo-1-tert-butylpyrazol-4-yl)methanol?
The InChIKey is URJPEAYLOXTYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-8(2,3)11-7(9)6(5-12)4-10-11/h4,12H,5H2,1-3H3.
What are the key properties of (5-bromo-1-tert-butylpyrazol-4-yl)methanol?
(5-bromo-1-tert-butylpyrazol-4-yl)methanol has a molecular weight of 233.11 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-tert-butylpyrazol-4-yl)methanol is sourced from PubChem (CID 67491360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).