5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid

C13H11N3O3 — CID 104608704

IUPAC5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2cccc3[nH]ncc23)c1
InChIInChI=1S/C13H11N3O3/c17-13(18)8-4-9(19-7-8)5-14-11-2-1-3-12-10(11)6-15-16-12/h1-4,6-7,14H,5H2,(H,15,16)(H,17,18)
InChIKeyZZJAPQPUNYQWSL-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.47
Rot. Bonds4

About 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid

5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104608704) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104608704
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(CNc2cccc3[nH]ncc23)c1
InChIInChI=1S/C13H11N3O3/c17-13(18)8-4-9(19-7-8)5-14-11-2-1-3-12-10(11)6-15-16-12/h1-4,6-7,14H,5H2,(H,15,16)(H,17,18)
InChIKeyZZJAPQPUNYQWSL-UHFFFAOYSA-N
XLogP2.47
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid (CID 104608704) is 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1coc(CNc2cccc3[nH]ncc23)c1.
What is the InChIKey of 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is ZZJAPQPUNYQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(18)8-4-9(19-7-8)5-14-11-2-1-3-12-10(11)6-15-16-12/h1-4,6-7,14H,5H2,(H,15,16)(H,17,18).
What are the key properties of 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid?
5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).