1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol

C7H11BrN2O — CID 61035424

IUPAC1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-7(2,11)5-10-4-6(8)3-9-10/h3-4,11H,5H2,1-2H3
InChIKeyIOUKCMFUEJBHER-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.42
Rot. Bonds2

About 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol

1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 61035424) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID61035424
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(Br)cn1
InChIInChI=1S/C7H11BrN2O/c1-7(2,11)5-10-4-6(8)3-9-10/h3-4,11H,5H2,1-2H3
InChIKeyIOUKCMFUEJBHER-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol (CID 61035424) is 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is IOUKCMFUEJBHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-7(2,11)5-10-4-6(8)3-9-10/h3-4,11H,5H2,1-2H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol?
1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 219.08 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 61035424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).