1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid

C12H13N3O3 — CID 63106286

IUPAC1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid
SMILESCCNC(=O)Cn1nc(C(=O)O)c2ccccc21
InChIInChI=1S/C12H13N3O3/c1-2-13-10(16)7-15-9-6-4-3-5-8(9)11(14-15)12(17)18/h3-6H,2,7H2,1H3,(H,13,16)(H,17,18)
InChIKeyLXNMQEJCVBEFHL-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.87
Rot. Bonds4

About 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid

1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid (PubChem CID 63106286) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid
PubChem CID63106286
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid
SMILESCCNC(=O)Cn1nc(C(=O)O)c2ccccc21
InChIInChI=1S/C12H13N3O3/c1-2-13-10(16)7-15-9-6-4-3-5-8(9)11(14-15)12(17)18/h3-6H,2,7H2,1H3,(H,13,16)(H,17,18)
InChIKeyLXNMQEJCVBEFHL-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid (CID 63106286) is 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid is CCNC(=O)Cn1nc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid?
The InChIKey is LXNMQEJCVBEFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-13-10(16)7-15-9-6-4-3-5-8(9)11(14-15)12(17)18/h3-6H,2,7H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid?
1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-2-oxoethyl]indazole-3-carboxylic acid is sourced from PubChem (CID 63106286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).