ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate

C9H14N4O3 — CID 65355222

IUPACethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H14N4O3/c1-3-16-7(14)4-11-9(15)8-6(10)5-13(2)12-8/h5H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyHJUMJNDUSPGUBP-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.70
Rot. Bonds4

About ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate

ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate (PubChem CID 65355222) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
PubChem CID65355222
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1nn(C)cc1N
InChIInChI=1S/C9H14N4O3/c1-3-16-7(14)4-11-9(15)8-6(10)5-13(2)12-8/h5H,3-4,10H2,1-2H3,(H,11,15)
InChIKeyHJUMJNDUSPGUBP-UHFFFAOYSA-N
XLogP-0.70
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(4-amino-1-methylpyrazole-3-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-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate (CID 65355222) is ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1nn(C)cc1N.
What is the InChIKey of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
The InChIKey is HJUMJNDUSPGUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-16-7(14)4-11-9(15)8-6(10)5-13(2)12-8/h5H,3-4,10H2,1-2H3,(H,11,15).
What are the key properties of ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate?
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate is sourced from PubChem (CID 65355222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).