ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate

C10H15N3O3 — CID 61343872

IUPACethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)7(2)12-9(14)8-5-11-13(3)6-8/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyJWASWQNCNLNNQE-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.10
Rot. Bonds4

About ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate

ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 61343872) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate
PubChem CID61343872
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cnn(C)c1
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)7(2)12-9(14)8-5-11-13(3)6-8/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyJWASWQNCNLNNQE-UHFFFAOYSA-N
XLogP0.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate 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-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate (CID 61343872) is ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cnn(C)c1.
What is the InChIKey of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is JWASWQNCNLNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-10(15)7(2)12-9(14)8-5-11-13(3)6-8/h5-7H,4H2,1-3H3,(H,12,14).
What are the key properties of ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate?
ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 61343872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).