N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide

C11H13N3O2 — CID 19750784

IUPACN-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide
SMILESCCNC(=O)c1cccc2[nH]n(C)c(=O)c12
InChIInChI=1S/C11H13N3O2/c1-3-12-10(15)7-5-4-6-8-9(7)11(16)14(2)13-8/h4-6,13H,3H2,1-2H3,(H,12,15)
InChIKeyWVUXXUPRBGNBFZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds2

About N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide

N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide (PubChem CID 19750784) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide
PubChem CID19750784
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide
SMILESCCNC(=O)c1cccc2[nH]n(C)c(=O)c12
InChIInChI=1S/C11H13N3O2/c1-3-12-10(15)7-5-4-6-8-9(7)11(16)14(2)13-8/h4-6,13H,3H2,1-2H3,(H,12,15)
InChIKeyWVUXXUPRBGNBFZ-UHFFFAOYSA-N
XLogP0.62
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide (CID 19750784) is N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide is CCNC(=O)c1cccc2[nH]n(C)c(=O)c12.
What is the InChIKey of N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide?
The InChIKey is WVUXXUPRBGNBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-12-10(15)7-5-4-6-8-9(7)11(16)14(2)13-8/h4-6,13H,3H2,1-2H3,(H,12,15).
What are the key properties of N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide?
N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-oxo-1H-indazole-4-carboxamide is sourced from PubChem (CID 19750784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).