2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid

C12H11N3O3 — CID 154221663

IUPAC2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid
SMILESNc1n[nH]c2ccc(C3(C(=O)O)CC=CO3)cc12
InChIInChI=1S/C12H11N3O3/c13-10-8-6-7(2-3-9(8)14-15-10)12(11(16)17)4-1-5-18-12/h1-3,5-6H,4H2,(H,16,17)(H3,13,14,15)
InChIKeyRIBQNNDOOYPZJJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.36
Rot. Bonds2

About 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid

2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid (PubChem CID 154221663) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid
PubChem CID154221663
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid
SMILESNc1n[nH]c2ccc(C3(C(=O)O)CC=CO3)cc12
InChIInChI=1S/C12H11N3O3/c13-10-8-6-7(2-3-9(8)14-15-10)12(11(16)17)4-1-5-18-12/h1-3,5-6H,4H2,(H,16,17)(H3,13,14,15)
InChIKeyRIBQNNDOOYPZJJ-UHFFFAOYSA-N
XLogP1.36
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3H-furan-2-carboxylic acid
CID 151281654
(3-amino-1H-indazol-5-yl)-(2-phenylaziridin-1-yl)methanone
CID 130423644
[2-(3-amino-1H-indazol-5-yl)-1,3-oxazol-4-yl] hydrogen carbonate
CID 69351183
5-(benzenesulfonyl)-1H-indazol-3-amine
CID 66736165
2-[4-(3-amino-1H-indazol-5-yl)phenoxy]acetic acid;ethane
CID 143156346
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[3-(3-amino-1H-indazol-5-yl)phenyl]methanone
CID 122557539
5-sulfamoyl-1H-indazole-3-carboxylic acid
CID 119086499
N-(3-amino-1H-indazol-5-yl)-2,5-dichlorobenzamide
CID 155557901
N-(3-amino-1H-indazol-5-yl)-2,4-dichlorobenzamide
CID 11666910
(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
N-amino-N-(3-amino-1H-indazol-5-yl)formamide
CID 91515206
1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 25009850

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid?
The IUPAC name of 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid (CID 154221663) is 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid.
What is the SMILES notation for 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid?
The canonical SMILES for 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid is Nc1n[nH]c2ccc(C3(C(=O)O)CC=CO3)cc12.
What is the InChIKey of 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid?
The InChIKey is RIBQNNDOOYPZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-10-8-6-7(2-3-9(8)14-15-10)12(11(16)17)4-1-5-18-12/h1-3,5-6H,4H2,(H,16,17)(H3,13,14,15).
What are the key properties of 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid?
2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-indazol-5-yl)-3H-furan-2-carboxylic acid is sourced from PubChem (CID 154221663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).