ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate

C15H14N4O3S — CID 3156403

IUPACethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate
SMILESCCOC(=O)Cc1[nH]nc2c1C(c1cccs1)C(C#N)=C(N)O2
InChIInChI=1S/C15H14N4O3S/c1-2-21-11(20)6-9-13-12(10-4-3-5-23-10)8(7-16)14(17)22-15(13)19-18-9/h3-5,12H,2,6,17H2,1H3,(H,18,19)
InChIKeyDNJPBMJAYYTJTK-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate

ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate (PubChem CID 3156403) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate
PubChem CID3156403
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Nameethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate
SMILESCCOC(=O)Cc1[nH]nc2c1C(c1cccs1)C(C#N)=C(N)O2
InChIInChI=1S/C15H14N4O3S/c1-2-21-11(20)6-9-13-12(10-4-3-5-23-10)8(7-16)14(17)22-15(13)19-18-9/h3-5,12H,2,6,17H2,1H3,(H,18,19)
InChIKeyDNJPBMJAYYTJTK-UHFFFAOYSA-N
XLogP1.79
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)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-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate?
The IUPAC name of ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate (CID 3156403) is ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate is CCOC(=O)Cc1[nH]nc2c1C(c1cccs1)C(C#N)=C(N)O2.
What is the InChIKey of ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate?
The InChIKey is DNJPBMJAYYTJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-2-21-11(20)6-9-13-12(10-4-3-5-23-10)8(7-16)14(17)22-15(13)19-18-9/h3-5,12H,2,6,17H2,1H3,(H,18,19).
What are the key properties of ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate?
ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate has a molecular weight of 330.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-amino-5-cyano-4-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate is sourced from PubChem (CID 3156403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).