ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate

C10H14ClN3O3 — CID 3716979

IUPACethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C10H14ClN3O3/c1-4-17-7(15)5-12-10(16)8-6(2)13-14(3)9(8)11/h4-5H2,1-3H3,(H,12,16)
InChIKeyROJVLZJDJGMYBW-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.67
Rot. Bonds4

About ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate (PubChem CID 3716979) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate
PubChem CID3716979
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Nameethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C10H14ClN3O3/c1-4-17-7(15)5-12-10(16)8-6(2)13-14(3)9(8)11/h4-5H2,1-3H3,(H,12,16)
InChIKeyROJVLZJDJGMYBW-UHFFFAOYSA-N
XLogP0.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]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-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate (CID 3716979) is ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is ROJVLZJDJGMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-4-17-7(15)5-12-10(16)8-6(2)13-14(3)9(8)11/h4-5H2,1-3H3,(H,12,16).
What are the key properties of ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 259.69 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 3716979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).