ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate

C17H21N5O3 — CID 67407415

IUPACethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1cc(-c2nc(C3CC3)c(C)nc2C)[nH]n1
InChIInChI=1S/C17H21N5O3/c1-4-25-15(24)8-14(23)19-13-7-12(21-22-13)17-10(3)18-9(2)16(20-17)11-5-6-11/h7,11H,4-6,8H2,1-3H3,(H2,19,21,22,23)
InChIKeyJGMBERXHSYGDAQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.25
Rot. Bonds6

About ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate

ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate (PubChem CID 67407415) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate
PubChem CID67407415
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)Nc1cc(-c2nc(C3CC3)c(C)nc2C)[nH]n1
InChIInChI=1S/C17H21N5O3/c1-4-25-15(24)8-14(23)19-13-7-12(21-22-13)17-10(3)18-9(2)16(20-17)11-5-6-11/h7,11H,4-6,8H2,1-3H3,(H2,19,21,22,23)
InChIKeyJGMBERXHSYGDAQ-UHFFFAOYSA-N
XLogP2.25
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate 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 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
The IUPAC name of ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate (CID 67407415) is ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate is CCOC(=O)CC(=O)Nc1cc(-c2nc(C3CC3)c(C)nc2C)[nH]n1.
What is the InChIKey of ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
The InChIKey is JGMBERXHSYGDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-25-15(24)8-14(23)19-13-7-12(21-22-13)17-10(3)18-9(2)16(20-17)11-5-6-11/h7,11H,4-6,8H2,1-3H3,(H2,19,21,22,23).
What are the key properties of ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate?
ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate has a molecular weight of 343.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(6-cyclopropyl-3,5-dimethylpyrazin-2-yl)-1H-pyrazol-3-yl]amino]-3-oxopropanoate is sourced from PubChem (CID 67407415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).