ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate

C14H14N4O3 — CID 81495238

IUPACethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc3c(cc2N)CC(=O)N3)c1
InChIInChI=1S/C14H14N4O3/c1-2-21-14(20)9-6-16-18(7-9)12-5-11-8(3-10(12)15)4-13(19)17-11/h3,5-7H,2,4,15H2,1H3,(H,17,19)
InChIKeyHSYPXWHSBHKOFX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.13
Rot. Bonds3

About ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate

ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate (PubChem CID 81495238) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate
PubChem CID81495238
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Nameethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc3c(cc2N)CC(=O)N3)c1
InChIInChI=1S/C14H14N4O3/c1-2-21-14(20)9-6-16-18(7-9)12-5-11-8(3-10(12)15)4-13(19)17-11/h3,5-7H,2,4,15H2,1H3,(H,17,19)
InChIKeyHSYPXWHSBHKOFX-UHFFFAOYSA-N
XLogP1.13
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate (CID 81495238) is ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc3c(cc2N)CC(=O)N3)c1.
What is the InChIKey of ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate?
The InChIKey is HSYPXWHSBHKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-2-21-14(20)9-6-16-18(7-9)12-5-11-8(3-10(12)15)4-13(19)17-11/h3,5-7H,2,4,15H2,1H3,(H,17,19).
What are the key properties of ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate?
ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-amino-2-oxo-1,3-dihydroindol-6-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 81495238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).