1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid

C9H8N2O4 — CID 117233267

IUPAC1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1Cc1ccco1
InChIInChI=1S/C9H8N2O4/c12-7-4-10-11(8(7)9(13)14)5-6-2-1-3-15-6/h1-4,12H,5H2,(H,13,14)
InChIKeyYOENSDVIZBGKPL-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.93
Rot. Bonds3

About 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid

1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid (PubChem CID 117233267) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid
PubChem CID117233267
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid
SMILESO=C(O)c1c(O)cnn1Cc1ccco1
InChIInChI=1S/C9H8N2O4/c12-7-4-10-11(8(7)9(13)14)5-6-2-1-3-15-6/h1-4,12H,5H2,(H,13,14)
InChIKeyYOENSDVIZBGKPL-UHFFFAOYSA-N
XLogP0.93
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol
CID 117233253
4-hydroxy-1-(thiophen-2-ylmethyl)pyrazole-5-carboxylic acid
CID 117233269
2-(furan-2-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 82376236
1-(furan-2-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568220
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46697455
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 46698336
(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
[1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26020581
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002
1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid
CID 102644188
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid (CID 117233267) is 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid is O=C(O)c1c(O)cnn1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid?
The InChIKey is YOENSDVIZBGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-7-4-10-11(8(7)9(13)14)5-6-2-1-3-15-6/h1-4,12H,5H2,(H,13,14).
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid?
1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxypyrazole-5-carboxylic acid is sourced from PubChem (CID 117233267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).