propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate

C13H15N3O4 — CID 82360746

IUPACpropyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
SMILESCCCOC(=O)Cn1nc(-c2ccco2)c(C=O)c1N
InChIInChI=1S/C13H15N3O4/c1-2-5-20-11(18)7-16-13(14)9(8-17)12(15-16)10-4-3-6-19-10/h3-4,6,8H,2,5,7,14H2,1H3
InChIKeyJWTTVRGFJADWFV-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.49
Rot. Bonds6

About propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate

propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate (PubChem CID 82360746) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namepropyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
PubChem CID82360746
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namepropyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate
SMILESCCCOC(=O)Cn1nc(-c2ccco2)c(C=O)c1N
InChIInChI=1S/C13H15N3O4/c1-2-5-20-11(18)7-16-13(14)9(8-17)12(15-16)10-4-3-6-19-10/h3-4,6,8H,2,5,7,14H2,1H3
InChIKeyJWTTVRGFJADWFV-UHFFFAOYSA-N
XLogP1.49
TPSA100.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-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 propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
The IUPAC name of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate (CID 82360746) is propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate.
What is the SMILES notation for propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
The canonical SMILES for propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate is CCCOC(=O)Cn1nc(-c2ccco2)c(C=O)c1N.
What is the InChIKey of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
The InChIKey is JWTTVRGFJADWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-5-20-11(18)7-16-13(14)9(8-17)12(15-16)10-4-3-6-19-10/h3-4,6,8H,2,5,7,14H2,1H3.
What are the key properties of propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate?
propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate has a molecular weight of 277.28 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[5-amino-4-formyl-3-(furan-2-yl)pyrazol-1-yl]acetate is sourced from PubChem (CID 82360746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).