5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol

C8H11BrN2O2 — CID 117232249

IUPAC5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCO2)c1Br
InChIInChI=1S/C8H11BrN2O2/c9-8-7(12)4-10-11(8)5-6-2-1-3-13-6/h4,6,12H,1-3,5H2
InChIKeyPDDBSYHIYBQXEX-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.53
Rot. Bonds2

About 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol

5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol (PubChem CID 117232249) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol
PubChem CID117232249
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCO2)c1Br
InChIInChI=1S/C8H11BrN2O2/c9-8-7(12)4-10-11(8)5-6-2-1-3-13-6/h4,6,12H,1-3,5H2
InChIKeyPDDBSYHIYBQXEX-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
3,5-dibromo-1-(oxan-2-ylmethyl)pyrazole
CID 114692402
2-[3-(oxolan-2-ylmethyl)imidazol-4-yl]acetic acid
CID 83820777
1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 175908437
6-chloro-1-[[(2R)-oxolan-2-yl]methyl]pyrazolo[3,4-b]pyrazine
CID 168751993
N,N-dimethyl-2-(oxolan-2-ylmethyl)pyrazol-3-amine
CID 142163207
4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 19476591
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646680
5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103220570
4-bromo-2-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46840100
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
2-bromo-4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]phenol
CID 63046936

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol?
The IUPAC name of 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol (CID 117232249) is 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol?
The canonical SMILES for 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol is Oc1cnn(CC2CCCO2)c1Br.
What is the InChIKey of 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol?
The InChIKey is PDDBSYHIYBQXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c9-8-7(12)4-10-11(8)5-6-2-1-3-13-6/h4,6,12H,1-3,5H2.
What are the key properties of 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol?
5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol has a molecular weight of 247.09 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxolan-2-ylmethyl)pyrazol-4-ol is sourced from PubChem (CID 117232249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).