ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate

C12H13N3O3 — CID 110474185

IUPACethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C12H13N3O3/c1-2-18-11(17)7-10(16)13-12-8-5-3-4-6-9(8)14-15-12/h3-6H,2,7H2,1H3,(H2,13,14,15,16)
InChIKeyWZWVXKRTLDAKNI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.45
Rot. Bonds4

About ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate

ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate (PubChem CID 110474185) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
PubChem CID110474185
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Nameethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1n[nH]c2ccccc12
InChIInChI=1S/C12H13N3O3/c1-2-18-11(17)7-10(16)13-12-8-5-3-4-6-9(8)14-15-12/h3-6H,2,7H2,1H3,(H2,13,14,15,16)
InChIKeyWZWVXKRTLDAKNI-UHFFFAOYSA-N
XLogP1.45
TPSA84.08 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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
2-(3-ethoxycyclobutyl)-N-(1H-indazol-3-yl)acetamide
CID 103164819
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
CID 60735515
2-(3,5-dimethylpyrazol-1-yl)-N-(1H-indazol-3-yl)acetamide
CID 60735352
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
2-tert-butylsulfanyl-N-(1H-indazol-3-yl)acetamide
CID 60735552
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
3-(2-amino-2-oxoethyl)sulfanyl-N-(1H-indazol-3-yl)propanamide
CID 60735680
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
2-cyclopentyl-N-(1H-indazol-3-yl)acetamide
CID 55023308

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate?
The IUPAC name of ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate (CID 110474185) is ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate.
What is the SMILES notation for ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate?
The canonical SMILES for ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate is CCOC(=O)CC(=O)Nc1n[nH]c2ccccc12.
What is the InChIKey of ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate?
The InChIKey is WZWVXKRTLDAKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-18-11(17)7-10(16)13-12-8-5-3-4-6-9(8)14-15-12/h3-6H,2,7H2,1H3,(H2,13,14,15,16).
What are the key properties of ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate?
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate has a molecular weight of 247.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate is sourced from PubChem (CID 110474185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).