ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate

C13H19N3O3 — CID 113235364

IUPACethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1cn(C)nc1C
InChIInChI=1S/C13H19N3O3/c1-5-7-16(9-12(17)19-6-2)13(18)11-8-15(4)14-10(11)3/h5,8H,1,6-7,9H2,2-4H3
InChIKeyBCAWRXCPGDWKIT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.92
Rot. Bonds6

About ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate

ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate (PubChem CID 113235364) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
PubChem CID113235364
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1cn(C)nc1C
InChIInChI=1S/C13H19N3O3/c1-5-7-16(9-12(17)19-6-2)13(18)11-8-15(4)14-10(11)3/h5,8H,1,6-7,9H2,2-4H3
InChIKeyBCAWRXCPGDWKIT-UHFFFAOYSA-N
XLogP0.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-prop-2-enylamino]acetate
CID 115538810
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
CID 78978801
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
ethyl 2-[(1-methyl-4-nitropyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 78978852
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-prop-2-enylamino]acetate
CID 78978746
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate
CID 113331322
ethyl 2-[3-imidazol-1-ylpropanoyl(prop-2-enyl)amino]acetate
CID 78954883
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate (CID 113235364) is ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)c1cn(C)nc1C.
What is the InChIKey of ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate?
The InChIKey is BCAWRXCPGDWKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-7-16(9-12(17)19-6-2)13(18)11-8-15(4)14-10(11)3/h5,8H,1,6-7,9H2,2-4H3.
What are the key properties of ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate?
ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate has a molecular weight of 265.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 113235364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).