ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate

C8H14N4O2 — CID 114995527

IUPACethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cn[nH]c1N
InChIInChI=1S/C8H14N4O2/c1-3-14-8(13)5(2)11-6-4-10-12-7(6)9/h4-5,11H,3H2,1-2H3,(H3,9,10,12)
InChIKeyVDJOXUQJTJAXMV-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.36
Rot. Bonds4

About ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate

ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate (PubChem CID 114995527) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate
PubChem CID114995527
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cn[nH]c1N
InChIInChI=1S/C8H14N4O2/c1-3-14-8(13)5(2)11-6-4-10-12-7(6)9/h4-5,11H,3H2,1-2H3,(H3,9,10,12)
InChIKeyVDJOXUQJTJAXMV-UHFFFAOYSA-N
XLogP0.36
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(5-amino-1H-pyrazol-4-yl)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

Related Compounds

ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
ethyl 2-[(5-aminoisoquinolin-6-yl)amino]propanoate
CID 106947814
ethyl 2-[2-amino-4-(trifluoromethyl)anilino]propanoate
CID 61498205
4-N-(6-methylheptan-2-yl)-1H-pyrazole-4,5-diamine
CID 114996140
ethyl 2-[1-(1H-pyrazol-5-yl)ethylamino]propanoate
CID 61498518
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
ethyl 2-(2-acetylanilino)propanoate
CID 67790607
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
CID 86692037
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
ethyl 2-(fluoroamino)propanoate
CID 89108988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate (CID 114995527) is ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1cn[nH]c1N.
What is the InChIKey of ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate?
The InChIKey is VDJOXUQJTJAXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-14-8(13)5(2)11-6-4-10-12-7(6)9/h4-5,11H,3H2,1-2H3,(H3,9,10,12).
What are the key properties of ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate?
ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate has a molecular weight of 198.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-amino-1H-pyrazol-4-yl)amino]propanoate is sourced from PubChem (CID 114995527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).