ethyl 2-(4-carbamoylpyrazol-1-yl)acetate

C8H11N3O3 — CID 62830445

IUPACethyl 2-(4-carbamoylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C(N)=O)cn1
InChIInChI=1S/C8H11N3O3/c1-2-14-7(12)5-11-4-6(3-10-11)8(9)13/h3-4H,2,5H2,1H3,(H2,9,13)
InChIKeyOWOPTDFNPAGTOD-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.45
Rot. Bonds4

About ethyl 2-(4-carbamoylpyrazol-1-yl)acetate

ethyl 2-(4-carbamoylpyrazol-1-yl)acetate (PubChem CID 62830445) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 2-(4-carbamoylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-carbamoylpyrazol-1-yl)acetate
PubChem CID62830445
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 2-(4-carbamoylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1cc(C(N)=O)cn1
InChIInChI=1S/C8H11N3O3/c1-2-14-7(12)5-11-4-6(3-10-11)8(9)13/h3-4H,2,5H2,1H3,(H2,9,13)
InChIKeyOWOPTDFNPAGTOD-UHFFFAOYSA-N
XLogP-0.45
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(4-carbamoylpyrazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-carbamoylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(4-carbamoylpyrazol-1-yl)acetate (CID 62830445) is ethyl 2-(4-carbamoylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-carbamoylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-carbamoylpyrazol-1-yl)acetate is CCOC(=O)Cn1cc(C(N)=O)cn1.
What is the InChIKey of ethyl 2-(4-carbamoylpyrazol-1-yl)acetate?
The InChIKey is OWOPTDFNPAGTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-7(12)5-11-4-6(3-10-11)8(9)13/h3-4H,2,5H2,1H3,(H2,9,13).
What are the key properties of ethyl 2-(4-carbamoylpyrazol-1-yl)acetate?
ethyl 2-(4-carbamoylpyrazol-1-yl)acetate has a molecular weight of 197.19 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-carbamoylpyrazol-1-yl)acetate is sourced from PubChem (CID 62830445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).