ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate

C10H15N3O3 — CID 70087855

IUPACethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C=C(N)OCC
InChIInChI=1S/C10H15N3O3/c1-3-15-9(11)5-8-7(6-12-13-8)10(14)16-4-2/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyKXVUUVIBVPLMPC-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.88
Rot. Bonds5

About ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate

ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate (PubChem CID 70087855) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate
PubChem CID70087855
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1C=C(N)OCC
InChIInChI=1S/C10H15N3O3/c1-3-15-9(11)5-8-7(6-12-13-8)10(14)16-4-2/h5-6H,3-4,11H2,1-2H3,(H,12,13)
InChIKeyKXVUUVIBVPLMPC-UHFFFAOYSA-N
XLogP0.88
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate 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

4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802
ethyl 5-(2-chloro-2-oxoethyl)-1H-pyrazole-4-carboxylate
CID 123571430
ethyl 5-(1-hydroxy-1-sulfanylethyl)-1H-pyrazole-4-carboxylate
CID 145046879
ethyl 5-(1-methoxyethyl)-1H-pyrazole-4-carboxylate
CID 86692037
ethyl 5-(dimethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 51330519
ethyl 5-(hydroxycarbamothioyl)-1H-pyrazole-4-carboxylate
CID 135528316
3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
ethyl 5-[2-(methylamino)ethyl]-1H-pyrazole-4-carboxylate
CID 175411581
ethyl 5-(4-iodophenyl)-1H-pyrazole-4-carboxylate
CID 22831672
ethyl 5-[(2-amino-2-methylpropanoyl)amino]-1H-pyrazole-4-carboxylate
CID 110479995
ethyl 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 22831657
ethyl 5-(3-methylcyclobutyl)-1H-pyrazole-4-carboxylate
CID 119055009

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate (CID 70087855) is ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1C=C(N)OCC.
What is the InChIKey of ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate?
The InChIKey is KXVUUVIBVPLMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-15-9(11)5-8-7(6-12-13-8)10(14)16-4-2/h5-6H,3-4,11H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-2-ethoxyethenyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70087855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).