ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate

C13H18N4O2 — CID 113446561

IUPACethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nccn2nc(C)cc12
InChIInChI=1S/C13H18N4O2/c1-4-19-12(18)5-7-16(3)13-11-9-10(2)15-17(11)8-6-14-13/h6,8-9H,4-5,7H2,1-3H3
InChIKeyJFAGLMKBNXNZBI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.43
Rot. Bonds5

About ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate

ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate (PubChem CID 113446561) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
PubChem CID113446561
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
SMILESCCOC(=O)CCN(C)c1nccn2nc(C)cc12
InChIInChI=1S/C13H18N4O2/c1-4-19-12(18)5-7-16(3)13-11-9-10(2)15-17(11)8-6-14-13/h6,8-9H,4-5,7H2,1-3H3
InChIKeyJFAGLMKBNXNZBI-UHFFFAOYSA-N
XLogP1.43
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate 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

ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 113446555
methyl 3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]propanoate
CID 104733418
2-[2-(dimethylamino)ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 107424895
3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
CID 113446120
N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propylethane-1,2-diamine
CID 104734207
N-cyclopropyl-N'-methyl-N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 113446593
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835
N-[2-(2-methoxyphenoxy)ethyl]-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 133490145
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489848
N,2-dimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732502
3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanethioamide
CID 104730031
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
CID 55209509

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate (CID 113446561) is ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate is CCOC(=O)CCN(C)c1nccn2nc(C)cc12.
What is the InChIKey of ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
The InChIKey is JFAGLMKBNXNZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-19-12(18)5-7-16(3)13-11-9-10(2)15-17(11)8-6-14-13/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate?
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate has a molecular weight of 262.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate is sourced from PubChem (CID 113446561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).