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

C8H7BrN2O2 — CID 117233253

IUPAC5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(Cc2ccco2)c1Br
InChIInChI=1S/C8H7BrN2O2/c9-8-7(12)4-10-11(8)5-6-2-1-3-13-6/h1-4,12H,5H2
InChIKeyKNGLVLIHPABTLL-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.99
Rot. Bonds2

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

5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol (PubChem CID 117233253) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol
PubChem CID117233253
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(Cc2ccco2)c1Br
InChIInChI=1S/C8H7BrN2O2/c9-8-7(12)4-10-11(8)5-6-2-1-3-13-6/h1-4,12H,5H2
InChIKeyKNGLVLIHPABTLL-UHFFFAOYSA-N
XLogP1.99
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid
CID 117233267
5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
CID 117232569
5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117232577
(3R,4S)-1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 79420188
1-(furan-2-ylmethyl)pyrrolidine-3,4-diol
CID 106671878
5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
CID 18673584
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 82376236
1-(furan-2-ylmethyl)-5-methylimidazole
CID 116798912
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol?
The IUPAC name of 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol (CID 117233253) is 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol?
The canonical SMILES for 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol is Oc1cnn(Cc2ccco2)c1Br.
What is the InChIKey of 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol?
The InChIKey is KNGLVLIHPABTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-8-7(12)4-10-11(8)5-6-2-1-3-13-6/h1-4,12H,5H2.
What are the key properties of 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol?
5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol has a molecular weight of 243.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol is sourced from PubChem (CID 117233253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).