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

C13H18N4O2 — CID 113446555

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

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

ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate (PubChem CID 113446555) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
PubChem CID113446555
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nccn2nc(C)cc12
InChIInChI=1S/C13H18N4O2/c1-4-16(9-12(18)19-5-2)13-11-8-10(3)15-17(11)7-6-14-13/h6-8H,4-5,9H2,1-3H3
InChIKeyZKUPGMOBUCOYNS-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

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Related Compounds

ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
2-[2-(dimethylamino)ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 107424895
ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733386
N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propylethane-1,2-diamine
CID 104734207
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734102
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619257
3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-propan-2-ylamino]propanoic acid
CID 113446120
3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanethioamide
CID 104730031
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
CID 105368549
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine
CID 100653666
ethyl 5-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)-4-oxopentanoate
CID 103484835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate (CID 113446555) is ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate is CCOC(=O)CN(CC)c1nccn2nc(C)cc12.
What is the InChIKey of ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
The InChIKey is ZKUPGMOBUCOYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-16(9-12(18)19-5-2)13-11-8-10(3)15-17(11)7-6-14-13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate?
ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate 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 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate is sourced from PubChem (CID 113446555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).