5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid

C9H8N2O3 — CID 777837

IUPAC5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C9H8N2O3/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13)
InChIKeyFZCNKLLKDQIBAZ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.22
Rot. Bonds3

About 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid

5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid (PubChem CID 777837) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
PubChem CID777837
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C9H8N2O3/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13)
InChIKeyFZCNKLLKDQIBAZ-UHFFFAOYSA-N
XLogP1.22
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid (CID 777837) is 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid is O=C(O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
The InChIKey is FZCNKLLKDQIBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13).
What are the key properties of 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid?
5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 777837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).